(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid

C12H21N3O4 — CID 107566579

IUPAC(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCCCC1C(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-5-8(11(17)18)14-12(19)15-7-4-3-6-9(15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8-,9?/m0/s1
InChIKeyVLWBCSSVOODMHT-IENPIDJESA-N
MW271.32 g/mol
LogP0.29
Rot. Bonds5

About (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid

(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107566579) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID107566579
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCCCC1C(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-5-8(11(17)18)14-12(19)15-7-4-3-6-9(15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8-,9?/m0/s1
InChIKeyVLWBCSSVOODMHT-IENPIDJESA-N
XLogP0.29
TPSA112.73 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 ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107145793
(2R)-4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005368
4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61200187
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
CID 82848994
(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
CID 97338754
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid (CID 107566579) is (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)N1CCCCC1C(N)=O)C(=O)O.
What is the InChIKey of (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is VLWBCSSVOODMHT-IENPIDJESA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-5-8(11(17)18)14-12(19)15-7-4-3-6-9(15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid?
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107566579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).