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

C12H21N3O4 — CID 103996387

IUPAC(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCCC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-9(11(17)18)14-12(19)13-6-5-10(16)15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/t9-/m0/s1
InChIKeyUWBUJQNLAIBEMY-VIFPVBQESA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds5

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

(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid (PubChem CID 103996387) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
PubChem CID103996387
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
SMILESC[C@H](NC(=O)NCCC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-9(11(17)18)14-12(19)13-6-5-10(16)15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/t9-/m0/s1
InChIKeyUWBUJQNLAIBEMY-VIFPVBQESA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
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
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(1R)-1-phenylethyl]urea
CID 52810285
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
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
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
(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
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 115692831

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid (CID 103996387) is (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid is C[C@H](NC(=O)NCCC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
The InChIKey is UWBUJQNLAIBEMY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H21N3O4/c1-9(11(17)18)14-12(19)13-6-5-10(16)15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/t9-/m0/s1.
What are the key properties of (2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid?
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 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-piperidin-1-ylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 103996387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).