2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid

C11H20N2O3 — CID 114548741

IUPAC2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC1CCC(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-13(7-10(14)15)11(16)12-9-5-4-8(2)6-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyHIDFMAYOXONLKP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

About 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid

2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid (PubChem CID 114548741) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
PubChem CID114548741
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NC1CCC(C)C1
InChIInChI=1S/C11H20N2O3/c1-3-13(7-10(14)15)11(16)12-9-5-4-8(2)6-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyHIDFMAYOXONLKP-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
2-[(3,5-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
CID 64733515
2-[(2,4-dimethylcyclohexyl)carbamoyl-ethylamino]acetic acid
CID 63997172
2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
CID 64741185
2-[(3-methylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266181
cis-(1R,3S)-3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319510
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66033021
2-[(3-methylsulfanylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 114124070
2-[(3-methylcyclobutyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 113364245
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
2-[ethyl-[(1-methylpiperidin-3-yl)carbamoyl]amino]acetic acid
CID 61223104
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid (CID 114548741) is 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)NC1CCC(C)C1.
What is the InChIKey of 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
The InChIKey is HIDFMAYOXONLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-13(7-10(14)15)11(16)12-9-5-4-8(2)6-9/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 114548741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).