(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide

C12H18N2O3 — CID 104898280

IUPAC(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
SMILESCC(CO)(CO)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O3/c1-12(7-15,8-16)14-11(17)10(13)9-5-3-2-4-6-9/h2-6,10,15-16H,7-8,13H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyHPSKMTPBNQKAAF-JTQLQIEISA-N
MW238.29 g/mol
LogP-0.45
Rot. Bonds5

About (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide

(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide (PubChem CID 104898280) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
PubChem CID104898280
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide
SMILESCC(CO)(CO)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C12H18N2O3/c1-12(7-15,8-16)14-11(17)10(13)9-5-3-2-4-6-9/h2-6,10,15-16H,7-8,13H2,1H3,(H,14,17)/t10-/m0/s1
InChIKeyHPSKMTPBNQKAAF-JTQLQIEISA-N
XLogP-0.45
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-phenylacetamide
CID 105058224
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
CID 106096490
3-[[(2R)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 103796335
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide (CID 104898280) is (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide is CC(CO)(CO)NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide?
The InChIKey is HPSKMTPBNQKAAF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(7-15,8-16)14-11(17)10(13)9-5-3-2-4-6-9/h2-6,10,15-16H,7-8,13H2,1H3,(H,14,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide?
(2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide has a molecular weight of 238.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 104898280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).