2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid

C12H21N3O4 — CID 65221074

IUPAC2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CCCCC1C(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-8(11(17)18)7-14-12(19)15-6-4-3-5-9(15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyBKHYLKQXKPUWTK-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds5

About 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid

2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid (PubChem CID 65221074) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
PubChem CID65221074
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)N1CCCCC1C(N)=O)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-8(11(17)18)7-14-12(19)15-6-4-3-5-9(15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyBKHYLKQXKPUWTK-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107838232
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670640
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
2-[[(4-cyclopentylpiperazine-1-carbonyl)amino]methyl]butanoic acid
CID 65221564
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
CID 82848994
4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001227
1-(2-bromobutanoyl)piperidine-2-carboxamide
CID 62854478
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid (CID 65221074) is 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)N1CCCCC1C(N)=O)C(=O)O.
What is the InChIKey of 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The InChIKey is BKHYLKQXKPUWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-8(11(17)18)7-14-12(19)15-6-4-3-5-9(15)10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65221074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).