(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide

C13H20N2O — CID 79022695

IUPAC(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
SMILESCC[C@H](N)C(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-12(14)13(16)15-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyCLEULAWFCISISA-KFJBMODSSA-N
MW220.32 g/mol
LogP1.47
Rot. Bonds5

About (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide

(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide (PubChem CID 79022695) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
PubChem CID79022695
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
SMILESCC[C@H](N)C(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-3-12(14)13(16)15-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)/t10?,12-/m0/s1
InChIKeyCLEULAWFCISISA-KFJBMODSSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419
(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
4-amino-5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 64890331
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]butanamide
CID 43705773
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]butanamide
CID 79025472
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]butanamide
CID 11736400
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide (CID 79022695) is (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide is CC[C@H](N)C(=O)NC(C)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide?
The InChIKey is CLEULAWFCISISA-KFJBMODSSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-12(14)13(16)15-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9,14H2,1-2H3,(H,15,16)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide?
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide is sourced from PubChem (CID 79022695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).