(2S)-2-(5-phenylpentylamino)propanoic acid

C14H21NO2 — CID 70498389

IUPAC(2S)-2-(5-phenylpentylamino)propanoic acid
SMILESC[C@H](NCCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-12(14(16)17)15-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeySHUUISXXNDPFML-LBPRGKRZSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds8

About (2S)-2-(5-phenylpentylamino)propanoic acid

(2S)-2-(5-phenylpentylamino)propanoic acid (PubChem CID 70498389) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-(5-phenylpentylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(5-phenylpentylamino)propanoic acid
PubChem CID70498389
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-2-(5-phenylpentylamino)propanoic acid
SMILESC[C@H](NCCCCCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO2/c1-12(14(16)17)15-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeySHUUISXXNDPFML-LBPRGKRZSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747
8-phenyloctylcarbamic acid
CID 90271205
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
2-(2-benzylsulfanylethylamino)propanoic acid
CID 46706960
N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide
CID 60720415
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
2-methyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333255

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-phenylpentylamino)propanoic acid?
The IUPAC name of (2S)-2-(5-phenylpentylamino)propanoic acid (CID 70498389) is (2S)-2-(5-phenylpentylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(5-phenylpentylamino)propanoic acid?
The canonical SMILES for (2S)-2-(5-phenylpentylamino)propanoic acid is C[C@H](NCCCCCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(5-phenylpentylamino)propanoic acid?
The InChIKey is SHUUISXXNDPFML-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(14(16)17)15-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-(5-phenylpentylamino)propanoic acid?
(2S)-2-(5-phenylpentylamino)propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-phenylpentylamino)propanoic acid is sourced from PubChem (CID 70498389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).