2-[cyanomethyl(cyclopentyl)amino]acetic acid

C9H14N2O2 — CID 60833018

IUPAC2-[cyanomethyl(cyclopentyl)amino]acetic acid
SMILESN#CCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H14N2O2/c10-5-6-11(7-9(12)13)8-3-1-2-4-8/h8H,1-4,6-7H2,(H,12,13)
InChIKeyDIWZKQJNTFILIP-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.84
Rot. Bonds4

About 2-[cyanomethyl(cyclopentyl)amino]acetic acid

2-[cyanomethyl(cyclopentyl)amino]acetic acid (PubChem CID 60833018) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[cyanomethyl(cyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyanomethyl(cyclopentyl)amino]acetic acid
PubChem CID60833018
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[cyanomethyl(cyclopentyl)amino]acetic acid
SMILESN#CCN(CC(=O)O)C1CCCC1
InChIInChI=1S/C9H14N2O2/c10-5-6-11(7-9(12)13)8-3-1-2-4-8/h8H,1-4,6-7H2,(H,12,13)
InChIKeyDIWZKQJNTFILIP-UHFFFAOYSA-N
XLogP0.84
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
CID 2723844
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
CID 60835424
2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 60833177
2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
CID 154734043
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid
CID 79284759
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(cyclopentyl)amino]acetic acid?
The IUPAC name of 2-[cyanomethyl(cyclopentyl)amino]acetic acid (CID 60833018) is 2-[cyanomethyl(cyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[cyanomethyl(cyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[cyanomethyl(cyclopentyl)amino]acetic acid is N#CCN(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyanomethyl(cyclopentyl)amino]acetic acid?
The InChIKey is DIWZKQJNTFILIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-5-6-11(7-9(12)13)8-3-1-2-4-8/h8H,1-4,6-7H2,(H,12,13).
What are the key properties of 2-[cyanomethyl(cyclopentyl)amino]acetic acid?
2-[cyanomethyl(cyclopentyl)amino]acetic acid has a molecular weight of 182.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(cyclopentyl)amino]acetic acid is sourced from PubChem (CID 60833018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).