2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid

C13H20N2O3 — CID 114161576

IUPAC2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid
SMILESC#CC(CC)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H20N2O3/c1-3-10(4-2)14-13(18)15(9-12(16)17)11-7-5-6-8-11/h1,10-11H,4-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyMYEKSNUSTLEZKY-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.44
Rot. Bonds5

About 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid

2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid (PubChem CID 114161576) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid
PubChem CID114161576
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid
SMILESC#CC(CC)NC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H20N2O3/c1-3-10(4-2)14-13(18)15(9-12(16)17)11-7-5-6-8-11/h1,10-11H,4-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyMYEKSNUSTLEZKY-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
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2-[cyclopentyl(2-methylbutylcarbamoyl)amino]acetic acid
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2-[cyclopentyl(2-methylbutan-2-ylcarbamoyl)amino]acetic acid
CID 61188941
1-cyclohexyl-3-pent-1-yn-3-ylurea
CID 106225399
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
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2-[cyclopropyl-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]amino]acetic acid
CID 54984160
2-[cyclopentyl-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]amino]acetic acid
CID 102907226
2-[cyclopropyl-[1-(oxolan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 54978439
(2R)-1-(pent-1-yn-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106232078
2-[cyclopentyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389276
2-[cyclopentyl(2-methylprop-2-enylcarbamoyl)amino]acetic acid
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2-amino-N-pent-1-yn-3-ylcycloheptane-1-carboxamide
CID 106230271

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid (CID 114161576) is 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid is C#CC(CC)NC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid?
The InChIKey is MYEKSNUSTLEZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-10(4-2)14-13(18)15(9-12(16)17)11-7-5-6-8-11/h1,10-11H,4-9H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid?
2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(pent-1-yn-3-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114161576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).