2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid

C15H24N2O3 — CID 79283048

IUPAC2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NC1CCC(CCC)CC1
InChIInChI=1S/C15H24N2O3/c1-3-5-12-6-8-13(9-7-12)16-15(20)17(10-4-2)11-14(18)19/h2,12-13H,3,5-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyOLMHWDGQOZVAOP-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.07
Rot. Bonds6

About 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid

2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid (PubChem CID 79283048) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid
PubChem CID79283048
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C(=O)NC1CCC(CCC)CC1
InChIInChI=1S/C15H24N2O3/c1-3-5-12-6-8-13(9-7-12)16-15(20)17(10-4-2)11-14(18)19/h2,12-13H,3,5-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyOLMHWDGQOZVAOP-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.07
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-[prop-2-ynyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]acetic acid
CID 79350944
2-[(4-ethylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263936
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-prop-2-ynylamino]acetic acid
CID 79283180
2-[methylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79273450
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
2-[3-methylpentan-3-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 106330660
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
2-[1-azabicyclo[2.2.2]octan-3-ylcarbamoyl(prop-2-ynyl)amino]acetic acid
CID 79283715
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890
2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
CID 55032022
2-[[cyclopropyl(propyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79283860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid (CID 79283048) is 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C(=O)NC1CCC(CCC)CC1.
What is the InChIKey of 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid?
The InChIKey is OLMHWDGQOZVAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-5-12-6-8-13(9-7-12)16-15(20)17(10-4-2)11-14(18)19/h2,12-13H,3,5-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid?
2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylcyclohexyl)carbamoyl-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79283048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).