2-[[benzyl(pentyl)carbamoyl]amino]acetic acid

C15H22N2O3 — CID 70441420

IUPAC2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
SMILESCCCCCN(Cc1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-2-3-7-10-17(15(20)16-11-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyZTACOPGKUONFJC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.47
Rot. Bonds8

About 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid

2-[[benzyl(pentyl)carbamoyl]amino]acetic acid (PubChem CID 70441420) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
PubChem CID70441420
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[benzyl(pentyl)carbamoyl]amino]acetic acid
SMILESCCCCCN(Cc1ccccc1)C(=O)NCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-2-3-7-10-17(15(20)16-11-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyZTACOPGKUONFJC-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-(2-methoxyethyl)-3-pentylurea
CID 86913997
N-benzyl-N-dodecyl-2-methylprop-2-enamide
CID 141486609
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
N-benzyl-N-butylpropanamide
CID 12502571
1-benzyl-3-(2,4-dimethylphenyl)-1-octadecylurea
CID 154191574
1-benzyl-3-(2,4-dimethylphenyl)-1-undecylurea
CID 15137562
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid (CID 70441420) is 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid is CCCCCN(Cc1ccccc1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid?
The InChIKey is ZTACOPGKUONFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-3-7-10-17(15(20)16-11-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid?
2-[[benzyl(pentyl)carbamoyl]amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(pentyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 70441420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).