N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene

C19H39N7O7 — CID 153357994

IUPACN'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene
SMILESC=C.CC.CC/C(N)=N/N=C(/C)N.NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H17N3O7.C5H12N4.C2H6.C2H4/c11-7(14)3-12(4-8(15)16)1-2-13(5-9(17)18)6-10(19)20;1-3-5(7)9-8-4(2)6;2*1-2/h1-6H2,(H2,11,14)(H,15,16)(H,17,18)(H,19,20);3H2,1-2H3,(H2,6,8)(H2,7,9);1-2H3;1-2H2
InChIKeyZFTSJCFLSIEYIP-UHFFFAOYSA-N
MW477.56 g/mol
LogP-0.80
Rot. Bonds13

About N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene

N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene (PubChem CID 153357994) has the molecular formula C19H39N7O7 and a molecular weight of 477.56 g/mol. Its IUPAC name is N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene.

Molecular Properties

Compound NameN'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene
PubChem CID153357994
Molecular FormulaC19H39N7O7
Molecular Weight477.56 g/mol
Exact Mass477.29
IUPAC NameN'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene
SMILESC=C.CC.CC/C(N)=N/N=C(/C)N.NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H17N3O7.C5H12N4.C2H6.C2H4/c11-7(14)3-12(4-8(15)16)1-2-13(5-9(17)18)6-10(19)20;1-3-5(7)9-8-4(2)6;2*1-2/h1-6H2,(H2,11,14)(H,15,16)(H,17,18)(H,19,20);3H2,1-2H3,(H2,6,8)(H2,7,9);1-2H3;1-2H2
InChIKeyZFTSJCFLSIEYIP-UHFFFAOYSA-N
XLogP-0.80
TPSA238.23 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 5-0.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene
CID 173039893
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene
CID 158664985
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid
CID 139393080
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
CID 153111880
2-[bis[2-[bis(2-amino-2-oxoethyl)amino]ethyl]amino]acetamide
CID 10134862
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;formaldehyde
CID 87841123
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene?
The IUPAC name of N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene (CID 153357994) is N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene.
What is the SMILES notation for N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene?
The canonical SMILES for N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene is C=C.CC.CC/C(N)=N/N=C(/C)N.NC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene?
The InChIKey is ZFTSJCFLSIEYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O7.C5H12N4.C2H6.C2H4/c11-7(14)3-12(4-8(15)16)1-2-13(5-9(17)18)6-10(19)20;1-3-5(7)9-8-4(2)6;2*1-2/h1-6H2,(H2,11,14)(H,15,16)(H,17,18)(H,19,20);3H2,1-2H3,(H2,6,8)(H2,7,9);1-2H3;1-2H2.
What are the key properties of N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene?
N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene has a molecular weight of 477.56 g/mol, XLogP of -0.80, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene is sourced from PubChem (CID 153357994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).