(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide

C12H18N2O — CID 81361090

IUPAC(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@H](C)NC(=O)[C@H](C)N)c1
InChIInChI=1S/C12H18N2O/c1-8-5-4-6-11(7-8)10(3)14-12(15)9(2)13/h4-7,9-10H,13H2,1-3H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyBKVGPEBLEGQYET-UWVGGRQHSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds3

About (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide

(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide (PubChem CID 81361090) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
PubChem CID81361090
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
SMILESCc1cccc([C@H](C)NC(=O)[C@H](C)N)c1
InChIInChI=1S/C12H18N2O/c1-8-5-4-6-11(7-8)10(3)14-12(15)9(2)13/h4-7,9-10H,13H2,1-3H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyBKVGPEBLEGQYET-UWVGGRQHSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
(2R)-2-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 54995688
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide (CID 81361090) is (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide is Cc1cccc([C@H](C)NC(=O)[C@H](C)N)c1.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
The InChIKey is BKVGPEBLEGQYET-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-5-4-6-11(7-8)10(3)14-12(15)9(2)13/h4-7,9-10H,13H2,1-3H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide?
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 81361090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).