(2S)-2-amino-N-(3-phenylpropyl)butanamide

C13H20N2O — CID 79024488

IUPAC(2S)-2-amino-N-(3-phenylpropyl)butanamide
SMILESCC[C@H](N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-12(14)13(16)15-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyXQMAFHKVFQCTJB-LBPRGKRZSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-amino-N-(3-phenylpropyl)butanamide

(2S)-2-amino-N-(3-phenylpropyl)butanamide (PubChem CID 79024488) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-phenylpropyl)butanamide
PubChem CID79024488
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-N-(3-phenylpropyl)butanamide
SMILESCC[C@H](N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C13H20N2O/c1-2-12(14)13(16)15-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyXQMAFHKVFQCTJB-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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Related Compounds

(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
[4-[(2S)-2-amino-3-oxo-3-(3-phenylpropylamino)propyl]phenyl]boronic acid
CID 169082281
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
(2S)-2-amino-4-oxo-4-(3-phenylpropylamino)butanoic acid
CID 67284376
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-(carbamoylamino)-N-(3-phenylpropyl)propanamide
CID 94187133

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-phenylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(3-phenylpropyl)butanamide (CID 79024488) is (2S)-2-amino-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-phenylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(3-phenylpropyl)butanamide is CC[C@H](N)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3-phenylpropyl)butanamide?
The InChIKey is XQMAFHKVFQCTJB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12(14)13(16)15-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10,14H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-phenylpropyl)butanamide?
(2S)-2-amino-N-(3-phenylpropyl)butanamide 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-(3-phenylpropyl)butanamide is sourced from PubChem (CID 79024488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).