(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide

C15H24N2O — CID 22690930

IUPAC(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-12(2)14(16)15(18)17-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,16H2,1-2H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyOUJYQIRPACTPNI-PYMCNQPYSA-N
MW248.37 g/mol
LogP2.11
Rot. Bonds7

About (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide

(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide (PubChem CID 22690930) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
PubChem CID22690930
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-12(2)14(16)15(18)17-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,16H2,1-2H3,(H,17,18)/t12?,14-/m0/s1
InChIKeyOUJYQIRPACTPNI-PYMCNQPYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.11
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-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2S,3R)-2-(carbamoylamino)-3-methyl-N-(3-phenylpropyl)pentanamide
CID 2562392
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
3-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]benzoic acid
CID 63795309
methyl 3-methyl-2-(3-phenylpropylcarbamoylamino)pentanoate
CID 3571846
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
2-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]-3-methylpentanamide;hydrochloride
CID 119750986
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide (CID 22690930) is (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide is CCC(C)[C@H](N)C(=O)NCCCc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide?
The InChIKey is OUJYQIRPACTPNI-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12(2)14(16)15(18)17-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11,16H2,1-2H3,(H,17,18)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide?
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide is sourced from PubChem (CID 22690930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).