4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C12H21N3O5 — CID 66001227

IUPAC4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCCCC1C(N)=O)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-12(20,6-9(16)17)7-14-11(19)15-5-3-2-4-8(15)10(13)18/h8,20H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyANVPZSDORIRYON-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.74
Rot. Bonds5

About 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001227) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66001227
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCCCC1C(N)=O)CC(=O)O
InChIInChI=1S/C12H21N3O5/c1-12(20,6-9(16)17)7-14-11(19)15-5-3-2-4-8(15)10(13)18/h8,20H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17)
InChIKeyANVPZSDORIRYON-UHFFFAOYSA-N
XLogP-0.74
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174648
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003595
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002624
3-[(2-carbamoylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263596
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
2-[[(2-carbamoylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221074
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 104968130
(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107838232
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
1-propanoylpiperidine-2-carboxamide
CID 60717244
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270

Frequently Asked Questions

What is the IUPAC name of 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 66001227) is 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)N1CCCCC1C(N)=O)CC(=O)O.
What is the InChIKey of 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is ANVPZSDORIRYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-12(20,6-9(16)17)7-14-11(19)15-5-3-2-4-8(15)10(13)18/h8,20H,2-7H2,1H3,(H2,13,18)(H,14,19)(H,16,17).
What are the key properties of 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-carbamoylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).