methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate

C14H20N2O3 — CID 721455

IUPACmethyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)9-12(13(17)19-3)16-14(18)15-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,15,16,18)/t12-/m1/s1
InChIKeyPZWXWEBQYQPSJI-GFCCVEGCSA-N
MW264.32 g/mol
LogP2.40
Rot. Bonds5

About methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate

methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate (PubChem CID 721455) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
PubChem CID721455
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
SMILESCOC(=O)[C@@H](CC(C)C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)9-12(13(17)19-3)16-14(18)15-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,15,16,18)/t12-/m1/s1
InChIKeyPZWXWEBQYQPSJI-GFCCVEGCSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate 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

(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
methyl 4-methyl-2-[(2-methylphenyl)carbamoylamino]pentanoate
CID 3806589
methyl 2-[(3,4-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 3570816
methyl (2S)-2-[[4-(4-anilinoanilino)-4-oxobutanoyl]amino]-4-methylpentanoate
CID 90879083
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methylpentanoate
CID 944657
methyl (2S)-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 944223
methyl 2-[(2-chlorophenyl)methylcarbamoylamino]-4-methylpentanoate
CID 3840531
methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
CID 9018532
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
methyl (2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-4-methylpentanoate
CID 104898337
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114238

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate?
The IUPAC name of methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate (CID 721455) is methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate.
What is the SMILES notation for methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate?
The canonical SMILES for methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)Nc1ccccc1.
What is the InChIKey of methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate?
The InChIKey is PZWXWEBQYQPSJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)9-12(13(17)19-3)16-14(18)15-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H2,15,16,18)/t12-/m1/s1.
What are the key properties of methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate?
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate has a molecular weight of 264.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate is sourced from PubChem (CID 721455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).