2-(cyclopropylamino)-4-phenylbutanoic acid

C13H17NO2 — CID 62880586

IUPAC2-(cyclopropylamino)-4-phenylbutanoic acid
SMILESO=C(O)C(CCc1ccccc1)NC1CC1
InChIInChI=1S/C13H17NO2/c15-13(16)12(14-11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)
InChIKeyGVLYKKTUSOMMBN-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds6

About 2-(cyclopropylamino)-4-phenylbutanoic acid

2-(cyclopropylamino)-4-phenylbutanoic acid (PubChem CID 62880586) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-phenylbutanoic acid
PubChem CID62880586
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(cyclopropylamino)-4-phenylbutanoic acid
SMILESO=C(O)C(CCc1ccccc1)NC1CC1
InChIInChI=1S/C13H17NO2/c15-13(16)12(14-11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)
InChIKeyGVLYKKTUSOMMBN-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
CID 104983243
methyl 2-(cyclopentylamino)-4-phenylbutanoate
CID 62881627
(2S)-2-(cyclopropylsulfamoylamino)-4-phenylbutanoic acid
CID 104983280
2-[3-(cyclopropylamino)propanoylamino]-4-phenylbutanoic acid
CID 114917573
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
(2S)-2-[[1-(2-oxo-2-phenylmethoxyethyl)azocan-3-yl]amino]-4-phenylbutanoic acid
CID 70477893
2-methyl-4-phenylbutanoic acid
CID 66896591
methyl 2-(cyclopropylamino)-4-(3-phenylpropoxy)butanoate
CID 63034786
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-phenylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-4-phenylbutanoic acid (CID 62880586) is 2-(cyclopropylamino)-4-phenylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-4-phenylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-4-phenylbutanoic acid is O=C(O)C(CCc1ccccc1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-phenylbutanoic acid?
The InChIKey is GVLYKKTUSOMMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12(14-11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-4-phenylbutanoic acid?
2-(cyclopropylamino)-4-phenylbutanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-phenylbutanoic acid is sourced from PubChem (CID 62880586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).