methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate

C16H24N2O3 — CID 41118317

IUPACmethyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@H](NC(=O)N(CC)c1ccccc1)C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-5-12(3)14(15(19)21-4)17-16(20)18(6-2)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyIDUBCQYUIBGNHP-OCCSQVGLSA-N
MW292.38 g/mol
LogP2.81
Rot. Bonds6

About methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate

methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate (PubChem CID 41118317) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
PubChem CID41118317
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@H](NC(=O)N(CC)c1ccccc1)C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-5-12(3)14(15(19)21-4)17-16(20)18(6-2)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyIDUBCQYUIBGNHP-OCCSQVGLSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
methyl 2-[[ethyl(phenyl)carbamoyl]amino]-4-methylsulfanylbutanoate
CID 73401856
methyl (2S)-2-[[acetamido(benzyl)carbamoyl]amino]-3-methylpentanoate
CID 134871257
methyl (2S)-2-[[(2R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 92525609
methyl 3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]pentanoate
CID 112830437
1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880587
3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 108879841
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
methyl (2R,3S)-3-methyl-2-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]pentanoate
CID 7692500
methyl 3-methyl-2-(4-phenylbutan-2-ylcarbamoylamino)pentanoate
CID 3637145

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate?
The IUPAC name of methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate (CID 41118317) is methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate is CC[C@@H](C)[C@H](NC(=O)N(CC)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate?
The InChIKey is IDUBCQYUIBGNHP-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-12(3)14(15(19)21-4)17-16(20)18(6-2)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3,(H,17,20)/t12-,14+/m1/s1.
What are the key properties of methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate?
methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate has a molecular weight of 292.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate is sourced from PubChem (CID 41118317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).