2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid

C14H27N3O4 — CID 79271649

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C14H27N3O4/c1-16(12-5-3-4-6-12)8-7-15-14(20)17(9-10-21-2)11-13(18)19/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySCOYLZKNWOSOAP-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds9

About 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid

2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79271649) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79271649
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C14H27N3O4/c1-16(12-5-3-4-6-12)8-7-15-14(20)17(9-10-21-2)11-13(18)19/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySCOYLZKNWOSOAP-UHFFFAOYSA-N
XLogP0.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
2-[2-acetamidoethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269666
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258
2-[2-methoxyethyl-[4-[methyl(propan-2-yl)amino]butylcarbamoyl]amino]acetic acid
CID 79272017
3-[2-[cyclopentyl(methyl)amino]ethyl]-1-ethyl-1-methylurea
CID 115613946
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
2-[(2,3-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272617
2-[3-(methanesulfonamido)propylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 103995553
2-[cyclobutylmethyl(2-methoxyethyl)amino]acetic acid
CID 65457394

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79271649) is 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SCOYLZKNWOSOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-16(12-5-3-4-6-12)8-7-15-14(20)17(9-10-21-2)11-13(18)19/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79271649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).