2-(4-phenylbutan-2-ylamino)butanoic acid

C14H21NO2 — CID 64669361

IUPAC2-(4-phenylbutan-2-ylamino)butanoic acid
SMILESCCC(NC(C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-3-13(14(16)17)15-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyGXUNETWBAQCOIE-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds7

About 2-(4-phenylbutan-2-ylamino)butanoic acid

2-(4-phenylbutan-2-ylamino)butanoic acid (PubChem CID 64669361) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-phenylbutan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(4-phenylbutan-2-ylamino)butanoic acid
PubChem CID64669361
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(4-phenylbutan-2-ylamino)butanoic acid
SMILESCCC(NC(C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-3-13(14(16)17)15-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyGXUNETWBAQCOIE-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
2-methyl-4-phenylbutanoic acid
CID 66896591
(2S)-3-phenyl-2-[4-[4-(trifluoromethyl)phenyl]butan-2-ylamino]propanoic acid
CID 122037540
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
N-(ethylcarbamoyl)-2-(4-phenylbutan-2-ylamino)propanamide
CID 60638721
(2R)-2-bromo-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 51660002
(2S)-2-(5-methylhexan-2-ylamino)-3-phenylpropanoic acid
CID 122037626
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
CID 43425172
2-[4-(4-methoxyphenyl)butan-2-ylamino]pentanoic acid
CID 65055651
2-[[(2S)-1-chloro-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid
CID 87484460
2-(3-methylpentanoylamino)-4-phenylbutanoic acid
CID 114916667

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylbutan-2-ylamino)butanoic acid?
The IUPAC name of 2-(4-phenylbutan-2-ylamino)butanoic acid (CID 64669361) is 2-(4-phenylbutan-2-ylamino)butanoic acid.
What is the SMILES notation for 2-(4-phenylbutan-2-ylamino)butanoic acid?
The canonical SMILES for 2-(4-phenylbutan-2-ylamino)butanoic acid is CCC(NC(C)CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(4-phenylbutan-2-ylamino)butanoic acid?
The InChIKey is GXUNETWBAQCOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-13(14(16)17)15-11(2)9-10-12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-phenylbutan-2-ylamino)butanoic acid?
2-(4-phenylbutan-2-ylamino)butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylbutan-2-ylamino)butanoic acid is sourced from PubChem (CID 64669361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).