2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid

C14H22N2O2 — CID 82257201

IUPAC2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
SMILESCCCC(NC(C)Cc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-4-13(14(17)18)16-10(2)9-11-5-7-12(15)8-6-11/h5-8,10,13,16H,3-4,9,15H2,1-2H3,(H,17,18)
InChIKeyWVIUGIYJNMLELA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds7

About 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid

2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid (PubChem CID 82257201) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
PubChem CID82257201
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
SMILESCCCC(NC(C)Cc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-4-13(14(17)18)16-10(2)9-11-5-7-12(15)8-6-11/h5-8,10,13,16H,3-4,9,15H2,1-2H3,(H,17,18)
InChIKeyWVIUGIYJNMLELA-UHFFFAOYSA-N
XLogP2.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487
1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
CID 22297830
(2S,4R)-5-(4-aminophenyl)-2-methyl-4-(methylamino)pentanoic acid
CID 118910160
(2S)-2-[[3-(4-aminophenyl)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid
CID 57325176
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
3-(4-aminophenyl)-2-(chloroamino)propanoic acid
CID 174772301
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methylpentanoic acid
CID 114829624
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid?
The IUPAC name of 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid (CID 82257201) is 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid.
What is the SMILES notation for 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid?
The canonical SMILES for 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid is CCCC(NC(C)Cc1ccc(N)cc1)C(=O)O.
What is the InChIKey of 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid?
The InChIKey is WVIUGIYJNMLELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-13(14(17)18)16-10(2)9-11-5-7-12(15)8-6-11/h5-8,10,13,16H,3-4,9,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid?
2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid is sourced from PubChem (CID 82257201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).