(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide

C14H22N2O3 — CID 66750831

IUPAC(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C[C@H](N)C(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,9-17)16-13(18)12(15)8-10-4-6-11(19-3)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyPGOBIZDPGIONPF-LBPRGKRZSA-N
MW266.34 g/mol
LogP0.45
Rot. Bonds6

About (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide

(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 66750831) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID66750831
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C[C@H](N)C(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,9-17)16-13(18)12(15)8-10-4-6-11(19-3)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyPGOBIZDPGIONPF-LBPRGKRZSA-N
XLogP0.45
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 114350791
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2R)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;methane
CID 160621097
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(2S)-2-amino-4-hydroxy-N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 142496432
(2S)-2-amino-3-(4-methoxyphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 157370728
[4-[(2S)-2-amino-3-(4-methoxyanilino)-3-oxopropyl]phenyl]boronic acid
CID 169082247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide (CID 66750831) is (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide is COc1ccc(C[C@H](N)C(=O)NC(C)(C)CO)cc1.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is PGOBIZDPGIONPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,9-17)16-13(18)12(15)8-10-4-6-11(19-3)7-5-10/h4-7,12,17H,8-9,15H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide?
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 66750831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).