2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid

C10H17N3O4 — CID 18223425

IUPAC2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
SMILESCC(NC(=O)C1CCCN1)C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(9(16)12-5-8(14)15)13-10(17)7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyKIZQGKLMXKGDIV-UHFFFAOYSA-N
MW243.26 g/mol
LogP-1.56
Rot. Bonds5

About 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid

2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid (PubChem CID 18223425) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
PubChem CID18223425
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid
SMILESCC(NC(=O)C1CCCN1)C(=O)NCC(=O)O
InChIInChI=1S/C10H17N3O4/c1-6(9(16)12-5-8(14)15)13-10(17)7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,16)(H,13,17)(H,14,15)
InChIKeyKIZQGKLMXKGDIV-UHFFFAOYSA-N
XLogP-1.56
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]acetic acid
CID 145457589
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
CID 18223501
2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 51037953
(2S)-N-[1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 61467430
(2R)-N-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxamide
CID 103808196
2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
CID 52917433
(2S)-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
CID 61155752
2-[[2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[2-[[2-[[(2S)-2-[[2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]butanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetic acid
CID 10290638
(2S)-4-amino-4-oxo-2-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoic acid
CID 145457370
4-amino-4-oxo-2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]butanoic acid
CID 18223420
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
CID 23318222
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid?
The IUPAC name of 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid (CID 18223425) is 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid?
The canonical SMILES for 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid is CC(NC(=O)C1CCCN1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid?
The InChIKey is KIZQGKLMXKGDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-6(9(16)12-5-8(14)15)13-10(17)7-3-2-4-11-7/h6-7,11H,2-5H2,1H3,(H,12,16)(H,13,17)(H,14,15).
What are the key properties of 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid?
2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidine-2-carbonylamino)propanoylamino]acetic acid is sourced from PubChem (CID 18223425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).