2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid

C12H22N4O6 — CID 118189319

IUPAC2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid
SMILESNCC(=O)CN(CCN(CC(=O)O)CC(=O)CN)CC(=O)O
InChIInChI=1S/C12H22N4O6/c13-3-9(17)5-15(7-11(19)20)1-2-16(8-12(21)22)6-10(18)4-14/h1-8,13-14H2,(H,19,20)(H,21,22)
InChIKeyBFHPSNRQSANCOW-UHFFFAOYSA-N
MW318.33 g/mol
LogP-3.18
Rot. Bonds13

About 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid

2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid (PubChem CID 118189319) has the molecular formula C12H22N4O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid
PubChem CID118189319
Molecular FormulaC12H22N4O6
Molecular Weight318.33 g/mol
Exact Mass318.15
IUPAC Name2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid
SMILESNCC(=O)CN(CCN(CC(=O)O)CC(=O)CN)CC(=O)O
InChIInChI=1S/C12H22N4O6/c13-3-9(17)5-15(7-11(19)20)1-2-16(8-12(21)22)6-10(18)4-14/h1-8,13-14H2,(H,19,20)(H,21,22)
InChIKeyBFHPSNRQSANCOW-UHFFFAOYSA-N
XLogP-3.18
TPSA167.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-3.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbonic acid
CID 173083279
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;formaldehyde
CID 87841123
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184
diazanium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;dibromide
CID 172753186

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid (CID 118189319) is 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid is NCC(=O)CN(CCN(CC(=O)O)CC(=O)CN)CC(=O)O.
What is the InChIKey of 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid?
The InChIKey is BFHPSNRQSANCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O6/c13-3-9(17)5-15(7-11(19)20)1-2-16(8-12(21)22)6-10(18)4-14/h1-8,13-14H2,(H,19,20)(H,21,22).
What are the key properties of 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid?
2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid has a molecular weight of 318.33 g/mol, XLogP of -3.18, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2-oxopropyl)-[2-[(3-amino-2-oxopropyl)-(carboxymethyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 118189319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).