2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

C9H15NO4 — CID 60942127

IUPAC2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(CO)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-5(4-11)10-8(12)6-3-7(6)9(13)14/h5-7,11H,2-4H2,1H3,(H,10,12)(H,13,14)
InChIKeyANWDQYSXHCHITM-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.41
Rot. Bonds5

About 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 60942127) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID60942127
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(CO)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-5(4-11)10-8(12)6-3-7(6)9(13)14/h5-7,11H,2-4H2,1H3,(H,10,12)(H,13,14)
InChIKeyANWDQYSXHCHITM-UHFFFAOYSA-N
XLogP-0.41
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223865
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
cis-(1R,2S)-2-[(1-hydroxy-4-methoxybutan-2-yl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114210287
2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429
(2R,3S)-3-(1-hydroxybutan-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114091864
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120696096
N-[(2S)-1-hydroxybutan-2-yl]cyclohexanecarboxamide
CID 854995

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 60942127) is 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is CCC(CO)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is ANWDQYSXHCHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-5(4-11)10-8(12)6-3-7(6)9(13)14/h5-7,11H,2-4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60942127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).