2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid

C17H35N5O4 — CID 153111880

IUPAC2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
SMILESCCCCN(CCN(CCN(CCC)CC(N)=O)CC(=O)O)CC(N)=O
InChIInChI=1S/C17H35N5O4/c1-3-5-7-21(13-16(19)24)9-11-22(14-17(25)26)10-8-20(6-4-2)12-15(18)23/h3-14H2,1-2H3,(H2,18,23)(H2,19,24)(H,25,26)
InChIKeyVTCADXNWJSKFCZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP-0.84
Rot. Bonds17

About 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid

2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid (PubChem CID 153111880) has the molecular formula C17H35N5O4 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
PubChem CID153111880
Molecular FormulaC17H35N5O4
Molecular Weight373.50 g/mol
Exact Mass373.27
IUPAC Name2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid
SMILESCCCCN(CCN(CCN(CCC)CC(N)=O)CC(=O)O)CC(N)=O
InChIInChI=1S/C17H35N5O4/c1-3-5-7-21(13-16(19)24)9-11-22(14-17(25)26)10-8-20(6-4-2)12-15(18)23/h3-14H2,1-2H3,(H2,18,23)(H2,19,24)(H,25,26)
InChIKeyVTCADXNWJSKFCZ-UHFFFAOYSA-N
XLogP-0.84
TPSA133.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
CID 82326746
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-(dibutylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 10278870
2-[2-[methyl(2-oxopropyl)amino]ethyl-propylamino]acetic acid
CID 156737158
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
CID 162681486
2-[butyl-(4-cyano-4-methylpentyl)amino]acetamide
CID 65257303

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid (CID 153111880) is 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid is CCCCN(CCN(CCN(CCC)CC(N)=O)CC(=O)O)CC(N)=O.
What is the InChIKey of 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid?
The InChIKey is VTCADXNWJSKFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O4/c1-3-5-7-21(13-16(19)24)9-11-22(14-17(25)26)10-8-20(6-4-2)12-15(18)23/h3-14H2,1-2H3,(H2,18,23)(H2,19,24)(H,25,26).
What are the key properties of 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid?
2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid has a molecular weight of 373.50 g/mol, XLogP of -0.84, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-2-oxoethyl)-butylamino]ethyl-[2-[(2-amino-2-oxoethyl)-propylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 153111880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).