(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid

C14H21NO2 — CID 155468055

IUPAC(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
SMILESCC(C)N[C@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)15-13(8-9-14(16)17)10-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyQHLOOCGJGFZGLX-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds7

About (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid

(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid (PubChem CID 155468055) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
PubChem CID155468055
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
SMILESCC(C)N[C@H](CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)15-13(8-9-14(16)17)10-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyQHLOOCGJGFZGLX-CYBMUJFWSA-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

Analyze (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methyl-2-propan-2-ylbutyl)amino]-5-phenylpentanoic acid
CID 122045784
4-[[4-(2-methylpropyl)phenyl]methylamino]-5-phenylpentanoic acid
CID 120511992
4-[(2-methyl-3-phenylpropyl)amino]-5-phenylpentanoic acid
CID 122045966
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-(2-methylbutylamino)-5-phenylpentanoic acid
CID 122045900
4-[1-(4-methyl-2-pyridinyl)ethylamino]-5-phenylpentanoic acid
CID 122045793
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
4-[(1-methylcyclobutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028258
2-benzyl-4-(propan-2-ylamino)butanoic acid;3-benzyl-4-(propan-2-ylamino)butanoic acid;2-benzyl-3-(propan-2-ylamino)propanoic acid;4-phenyl-3-(propan-2-ylamino)butanoic acid;5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 158207939
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316

Frequently Asked Questions

What is the IUPAC name of (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid?
The IUPAC name of (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid (CID 155468055) is (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid is CC(C)N[C@H](CCC(=O)O)Cc1ccccc1.
What is the InChIKey of (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid?
The InChIKey is QHLOOCGJGFZGLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)15-13(8-9-14(16)17)10-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid?
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic 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 (4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 155468055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).