2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C12H19N3O3 — CID 64815373

IUPAC2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C#N)CN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8(6-13)7-15(2)12(18)14-10-5-3-4-9(10)11(16)17/h8-10H,3-5,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXQZWDJRNXXWNFC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds4

About 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64815373) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID64815373
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C#N)CN(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8(6-13)7-15(2)12(18)14-10-5-3-4-9(10)11(16)17/h8-10H,3-5,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXQZWDJRNXXWNFC-UHFFFAOYSA-N
XLogP1.04
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319528
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815512
2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79864609
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816735
2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816001
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
2-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815725
N-(2-cyanopropyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389256
3-[[2-cyanopropyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042305
2-[[(4-chlorophenyl)methyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817880
3-tert-butyl-1-(2-cyanopropyl)-1-methylurea
CID 60970717

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 64815373) is 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CC(C#N)CN(C)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XQZWDJRNXXWNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(6-13)7-15(2)12(18)14-10-5-3-4-9(10)11(16)17/h8-10H,3-5,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).