2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid

C11H19N3O4 — CID 61194525

IUPAC2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)NCC(=O)O)C1CCCC1
InChIInChI=1S/C11H19N3O4/c1-14(8-4-2-3-5-8)11(18)13-6-9(15)12-7-10(16)17/h8H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyGDRBJOOSJDBJHH-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds5

About 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid

2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 61194525) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid
PubChem CID61194525
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid
SMILESCN(C(=O)NCC(=O)NCC(=O)O)C1CCCC1
InChIInChI=1S/C11H19N3O4/c1-14(8-4-2-3-5-8)11(18)13-6-9(15)12-7-10(16)17/h8H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyGDRBJOOSJDBJHH-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid (CID 61194525) is 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid is CN(C(=O)NCC(=O)NCC(=O)O)C1CCCC1.
What is the InChIKey of 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is GDRBJOOSJDBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-14(8-4-2-3-5-8)11(18)13-6-9(15)12-7-10(16)17/h8H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[cyclopentyl(methyl)carbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61194525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).