2-(2-amino-N-pentanoylanilino)acetic acid

C13H18N2O3 — CID 63118152

IUPAC2-(2-amino-N-pentanoylanilino)acetic acid
SMILESCCCCC(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C13H18N2O3/c1-2-3-8-12(16)15(9-13(17)18)11-7-5-4-6-10(11)14/h4-7H,2-3,8-9,14H2,1H3,(H,17,18)
InChIKeyDTQVPNXLJVJJLW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.88
Rot. Bonds6

About 2-(2-amino-N-pentanoylanilino)acetic acid

2-(2-amino-N-pentanoylanilino)acetic acid (PubChem CID 63118152) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-amino-N-pentanoylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-pentanoylanilino)acetic acid
PubChem CID63118152
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-amino-N-pentanoylanilino)acetic acid
SMILESCCCCC(=O)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C13H18N2O3/c1-2-3-8-12(16)15(9-13(17)18)11-7-5-4-6-10(11)14/h4-7H,2-3,8-9,14H2,1H3,(H,17,18)
InChIKeyDTQVPNXLJVJJLW-UHFFFAOYSA-N
XLogP1.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
2-(2-amino-N-(3-methoxy-3-methylbutanoyl)anilino)acetic acid
CID 103017877
2-(2-amino-N-butylsulfonylanilino)acetic acid
CID 55176952
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-(2-amino-N-(4-bromobenzoyl)anilino)acetic acid
CID 63118172
2-(2-amino-N-(2-methylfuran-3-carbonyl)anilino)acetic acid
CID 63118087
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
3-[2-amino-N-(3-methylpentanoyl)anilino]propanoic acid
CID 114873529
N-(2-aminophenyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 62365327
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-pentanoylanilino)acetic acid?
The IUPAC name of 2-(2-amino-N-pentanoylanilino)acetic acid (CID 63118152) is 2-(2-amino-N-pentanoylanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-pentanoylanilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-pentanoylanilino)acetic acid is CCCCC(=O)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-pentanoylanilino)acetic acid?
The InChIKey is DTQVPNXLJVJJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-8-12(16)15(9-13(17)18)11-7-5-4-6-10(11)14/h4-7H,2-3,8-9,14H2,1H3,(H,17,18).
What are the key properties of 2-(2-amino-N-pentanoylanilino)acetic acid?
2-(2-amino-N-pentanoylanilino)acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-pentanoylanilino)acetic acid is sourced from PubChem (CID 63118152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).