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

C11H18N2O5 — CID 114548922

IUPAC2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCC1CCC(NC(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-7-2-3-8(4-7)12-11(18)13(5-9(14)15)6-10(16)17/h7-8H,2-6H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyJDNVLTJQPKLEQX-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.36
Rot. Bonds5

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

2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid (PubChem CID 114548922) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
PubChem CID114548922
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
SMILESCC1CCC(NC(=O)N(CC(=O)O)CC(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-7-2-3-8(4-7)12-11(18)13(5-9(14)15)6-10(16)17/h7-8H,2-6H2,1H3,(H,12,18)(H,14,15)(H,16,17)
InChIKeyJDNVLTJQPKLEQX-UHFFFAOYSA-N
XLogP0.36
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid (CID 114548922) is 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid is CC1CCC(NC(=O)N(CC(=O)O)CC(=O)O)C1.
What is the InChIKey of 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
The InChIKey is JDNVLTJQPKLEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-7-2-3-8(4-7)12-11(18)13(5-9(14)15)6-10(16)17/h7-8H,2-6H2,1H3,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 114548922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).