(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide

C12H18N2O — CID 29059873

IUPAC(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc([C@@H](N)CC(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15)/t11-/m0/s1
InChIKeyQMCQSWQABUPODK-NSHDSACASA-N
MW206.29 g/mol
LogP1.69
Rot. Bonds4

About (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide

(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 29059873) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
PubChem CID29059873
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc([C@@H](N)CC(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15)/t11-/m0/s1
InChIKeyQMCQSWQABUPODK-NSHDSACASA-N
XLogP1.69
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(4-chlorophenyl)propanamide
CID 29060060
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959
2,4-diamino-4-(4-propan-2-ylphenyl)butanoic acid
CID 116942627
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 170876139
(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
CID 83230219
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
1-(4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933197

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide (CID 29059873) is (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc([C@@H](N)CC(N)=O)cc1.
What is the InChIKey of (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is QMCQSWQABUPODK-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H2,14,15)/t11-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide?
(3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 29059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).