2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid

C12H20N2O3 — CID 64816939

IUPAC2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CC1NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2)6-9(12)14-11(17)13-8-5-3-4-7(8)10(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyRNQPJTOHXNFOMM-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.34
Rot. Bonds3

About 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid

2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64816939) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64816939
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC1(C)CC1NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-12(2)6-9(12)14-11(17)13-8-5-3-4-7(8)10(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyRNQPJTOHXNFOMM-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 64816939) is 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid is CC1(C)CC1NC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RNQPJTOHXNFOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2)6-9(12)14-11(17)13-8-5-3-4-7(8)10(15)16/h7-9H,3-6H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid?
2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64816939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).