2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid

C11H18N2O5 — CID 55246133

IUPAC2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCC1CCCC1
InChIInChI=1S/C11H18N2O5/c14-9(15)6-13(7-10(16)17)11(18)12-5-8-3-1-2-4-8/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyRIPRHZUXEQRPPC-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.36
Rot. Bonds6

About 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid

2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid (PubChem CID 55246133) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
PubChem CID55246133
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCC1CCCC1
InChIInChI=1S/C11H18N2O5/c14-9(15)6-13(7-10(16)17)11(18)12-5-8-3-1-2-4-8/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyRIPRHZUXEQRPPC-UHFFFAOYSA-N
XLogP0.36
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
CID 63646163
2-[cyclopropylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258875
2-[(2-amino-2-oxoethyl)-(thian-4-ylmethylcarbamoyl)amino]acetic acid
CID 107439301
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
CID 86940440
3-(cyclopentylmethylamino)-3-oxopropanoic acid
CID 62232432

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid (CID 55246133) is 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCC1CCCC1.
What is the InChIKey of 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid?
The InChIKey is RIPRHZUXEQRPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c14-9(15)6-13(7-10(16)17)11(18)12-5-8-3-1-2-4-8/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 55246133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).