(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid

C11H19N3O4 — CID 103994413

IUPAC(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-8(10(16)17)13-11(18)12-5-4-9(15)14-6-2-3-7-14/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m0/s1
InChIKeyNFILBZKETCUNPV-QMMMGPOBSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds5

About (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid

(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid (PubChem CID 103994413) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
PubChem CID103994413
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCCC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-8(10(16)17)13-11(18)12-5-4-9(15)14-6-2-3-7-14/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m0/s1
InChIKeyNFILBZKETCUNPV-QMMMGPOBSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387
2-[[2-(azepan-1-yl)-2-oxoethyl]carbamoylamino]propanoic acid
CID 43823825
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoylamino]propanoic acid
CID 113408719
(2R)-4-amino-4-oxo-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 107828878
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2S)-2-hydroxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]butanoic acid
CID 107840944
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid (CID 103994413) is (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid is C[C@H](NC(=O)NCCC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
The InChIKey is NFILBZKETCUNPV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-8(10(16)17)13-11(18)12-5-4-9(15)14-6-2-3-7-14/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid?
(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 103994413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).