(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid

C11H19N3O5 — CID 107825829

IUPAC(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESNC(=O)C1CCCN(C(=O)N[C@H](CCO)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c12-9(16)7-2-1-4-14(6-7)11(19)13-8(3-5-15)10(17)18/h7-8,15H,1-6H2,(H2,12,16)(H,13,19)(H,17,18)/t7?,8-/m1/s1
InChIKeyNDPDWCUBEXQLDR-BRFYHDHCSA-N
MW273.29 g/mol
LogP-1.27
Rot. Bonds5

About (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107825829) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107825829
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESNC(=O)C1CCCN(C(=O)N[C@H](CCO)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c12-9(16)7-2-1-4-14(6-7)11(19)13-8(3-5-15)10(17)18/h7-8,15H,1-6H2,(H2,12,16)(H,13,19)(H,17,18)/t7?,8-/m1/s1
InChIKeyNDPDWCUBEXQLDR-BRFYHDHCSA-N
XLogP-1.27
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-carbamoylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 114082317
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
(2S)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61185431
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
(2R)-2-[(1-carbamoylpiperidine-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 114005009
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(2R)-4-hydroxy-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107828179
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)-4-hydroxybutanoic acid
CID 63154911
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2S)-4-hydroxy-2-[(3-hydroxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 107827615
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
(2S)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)-4-hydroxybutanoic acid
CID 107828364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid (CID 107825829) is (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid is NC(=O)C1CCCN(C(=O)N[C@H](CCO)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is NDPDWCUBEXQLDR-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H19N3O5/c12-9(16)7-2-1-4-14(6-7)11(19)13-8(3-5-15)10(17)18/h7-8,15H,1-6H2,(H2,12,16)(H,13,19)(H,17,18)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107825829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).