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

C15H24N2O — CID 61251907

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-11(2)14(16)15(18)17-10-12(3)13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,16H2,1-3H3,(H,17,18)/t11-,12?,14-/m0/s1
InChIKeySIEZEPLBAWLGNE-PSIKVXPXSA-N
MW248.37 g/mol
LogP2.28
Rot. Bonds6

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

(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide (PubChem CID 61251907) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
PubChem CID61251907
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC(C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-11(2)14(16)15(18)17-10-12(3)13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,16H2,1-3H3,(H,17,18)/t11-,12?,14-/m0/s1
InChIKeySIEZEPLBAWLGNE-PSIKVXPXSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
2-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
CID 157238222
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
CID 8578724
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide (CID 61251907) is (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NCC(C)c1ccccc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide?
The InChIKey is SIEZEPLBAWLGNE-PSIKVXPXSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-11(2)14(16)15(18)17-10-12(3)13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,16H2,1-3H3,(H,17,18)/t11-,12?,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide is sourced from PubChem (CID 61251907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).