(2S)-2-amino-N-butyl-3-phenylpropanamide

C13H20N2O — CID 11276051

IUPAC(2S)-2-amino-N-butyl-3-phenylpropanamide
SMILESCCCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-3-9-15-13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyLBYVHWXCOKDORT-LBPRGKRZSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-amino-N-butyl-3-phenylpropanamide

(2S)-2-amino-N-butyl-3-phenylpropanamide (PubChem CID 11276051) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-3-phenylpropanamide
PubChem CID11276051
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-N-butyl-3-phenylpropanamide
SMILESCCCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-3-9-15-13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyLBYVHWXCOKDORT-LBPRGKRZSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-butyl-3-phenylpropanamide (CID 11276051) is (2S)-2-amino-N-butyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-3-phenylpropanamide is CCCCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-butyl-3-phenylpropanamide?
The InChIKey is LBYVHWXCOKDORT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-9-15-13(16)12(14)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,14H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-3-phenylpropanamide?
(2S)-2-amino-N-butyl-3-phenylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-3-phenylpropanamide is sourced from PubChem (CID 11276051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).