2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

C9H15NO4 — CID 83176642

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

About 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 83176642) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID83176642
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(CCO)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-5(2-3-11)10-8(12)6-4-7(6)9(13)14/h5-7,11H,2-4H2,1H3,(H,10,12)(H,13,14)
InChIKeyBHQFJENIIQRORS-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-(6-methylheptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790622
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
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
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106348503
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795
2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790933
2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511694
4-methyl-2-(4-methylhexan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391108
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867930

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 83176642) is 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is CC(CCO)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is BHQFJENIIQRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-5(2-3-11)10-8(12)6-4-7(6)9(13)14/h5-7,11H,2-4H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(4-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-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83176642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).