1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid

C9H13NO3 — CID 163757949

IUPAC1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)C1(CC2(C(=O)O)CC2)CC1
InChIInChI=1S/C9H13NO3/c10-6(11)8(1-2-8)5-9(3-4-9)7(12)13/h1-5H2,(H2,10,11)(H,12,13)
InChIKeyLVRXZOVCTYKIFP-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.51
Rot. Bonds4

About 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid

1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 163757949) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID163757949
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)C1(CC2(C(=O)O)CC2)CC1
InChIInChI=1S/C9H13NO3/c10-6(11)8(1-2-8)5-9(3-4-9)7(12)13/h1-5H2,(H2,10,11)(H,12,13)
InChIKeyLVRXZOVCTYKIFP-UHFFFAOYSA-N
XLogP0.51
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
1-[(1-hydroxycyclopentyl)methyl]cyclobutane-1-carboxylic acid
CID 79424868
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
1-[(1-hydroxycyclohexyl)methyl]cyclobutane-1-carboxylic acid
CID 79426153
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397452
4,4-difluoro-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 86690087
1-ethylcyclopentane-1-carboxamide
CID 55285008
3-(hydroxymethyl)azetidine-3-carboxamide
CID 146446937
azane;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxamide;1-[12-[1-(2-methylsulfonylacetyl)cyclopropyl]dodecyl]cyclopropane-1-carboxylic acid;hydrochloride
CID 161028061
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639

Frequently Asked Questions

What is the IUPAC name of 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid (CID 163757949) is 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid is NC(=O)C1(CC2(C(=O)O)CC2)CC1.
What is the InChIKey of 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LVRXZOVCTYKIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c10-6(11)8(1-2-8)5-9(3-4-9)7(12)13/h1-5H2,(H2,10,11)(H,12,13).
What are the key properties of 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid?
1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-carbamoylcyclopropyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 163757949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).