[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid

C11H14N2O4 — CID 90743753

IUPAC[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCc1ccc(NC(=O)[C@@H](CO)NC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-7-2-4-8(5-3-7)12-10(15)9(6-14)13-11(16)17/h2-5,9,13-14H,6H2,1H3,(H,12,15)(H,16,17)/t9-/m1/s1
InChIKeyWVGAKSIJUDPCJM-SECBINFHSA-N
MW238.24 g/mol
LogP0.56
Rot. Bonds4

About [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid

[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 90743753) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
PubChem CID90743753
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
SMILESCc1ccc(NC(=O)[C@@H](CO)NC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-7-2-4-8(5-3-7)12-10(15)9(6-14)13-11(16)17/h2-5,9,13-14H,6H2,1H3,(H,12,15)(H,16,17)/t9-/m1/s1
InChIKeyWVGAKSIJUDPCJM-SECBINFHSA-N
XLogP0.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
CID 4227620
3-cyano-2-methyl-N-(4-methylphenyl)propanamide
CID 82112482
2-methyl-3-[methyl-[1-(4-methylanilino)-1-oxopropan-2-yl]amino]propanoic acid
CID 82326707
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041
N,2-bis(4-methylphenyl)butanamide
CID 2750915
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2-[[4-(4-methylanilino)-4-oxobutanoyl]amino]propanoic acid
CID 82043438

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid (CID 90743753) is [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid is Cc1ccc(NC(=O)[C@@H](CO)NC(=O)O)cc1.
What is the InChIKey of [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is WVGAKSIJUDPCJM-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-2-4-8(5-3-7)12-10(15)9(6-14)13-11(16)17/h2-5,9,13-14H,6H2,1H3,(H,12,15)(H,16,17)/t9-/m1/s1.
What are the key properties of [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid?
[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 238.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 90743753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).