1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid

C9H16N2O3 — CID 167134950

IUPAC1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
SMILESCC[C@@H](C)NC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-3-6(2)10-9(14)11-4-7(5-11)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyPTPOQEQCBWOJON-ZCFIWIBFSA-N
MW200.24 g/mol
LogP0.51
Rot. Bonds3

About 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid

1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid (PubChem CID 167134950) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
PubChem CID167134950
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
SMILESCC[C@@H](C)NC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-3-6(2)10-9(14)11-4-7(5-11)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyPTPOQEQCBWOJON-ZCFIWIBFSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
1-(heptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 61465992
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
5-methyl-1-[(5-oxo-5-propan-2-yloxypentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123680
5-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102931
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid (CID 167134950) is 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid is CC[C@@H](C)NC(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is PTPOQEQCBWOJON-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-6(2)10-9(14)11-4-7(5-11)8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t6-/m1/s1.
What are the key properties of 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 167134950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).