2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid

C13H22N4O4 — CID 63547793

IUPAC2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H22N4O4/c18-11(14-8-12(19)20)7-15-13(21)17-6-3-10(9-17)16-4-1-2-5-16/h10H,1-9H2,(H,14,18)(H,15,21)(H,19,20)
InChIKeyKZCMHLCIRYKFJK-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.93
Rot. Bonds5

About 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid (PubChem CID 63547793) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
PubChem CID63547793
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H22N4O4/c18-11(14-8-12(19)20)7-15-13(21)17-6-3-10(9-17)16-4-1-2-5-16/h10H,1-9H2,(H,14,18)(H,15,21)(H,19,20)
InChIKeyKZCMHLCIRYKFJK-UHFFFAOYSA-N
XLogP-0.93
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
1-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451632
3-[[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]pentanoic acid
CID 81067589
2-[[(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]methyl]butanoic acid
CID 65226508
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 71868032
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 114411753
2-(azocane-1-carbonylamino)acetic acid
CID 43445649
2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 63977490
N-tert-butyl-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 115695110
1-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81162430

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid (CID 63547793) is 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is KZCMHLCIRYKFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c18-11(14-8-12(19)20)7-15-13(21)17-6-3-10(9-17)16-4-1-2-5-16/h10H,1-9H2,(H,14,18)(H,15,21)(H,19,20).
What are the key properties of 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 298.34 g/mol, XLogP of -0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 63547793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).