(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide

C19H30N2O5 — CID 70611744

IUPAC(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide
SMILESCC(C)C[C@@](C)(C(=O)O)N(C)C(=O)OCc1ccccc1.CNC(C)=O
InChIInChI=1S/C16H23NO4.C3H7NO/c1-12(2)10-16(3,14(18)19)17(4)15(20)21-11-13-8-6-5-7-9-13;1-3(5)4-2/h5-9,12H,10-11H2,1-4H3,(H,18,19);1-2H3,(H,4,5)/t16-;/m0./s1
InChIKeyYKGVXJVLRGDTBR-NTISSMGPSA-N
MW366.46 g/mol
LogP2.90
Rot. Bonds6

About (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide

(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide (PubChem CID 70611744) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide
PubChem CID70611744
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide
SMILESCC(C)C[C@@](C)(C(=O)O)N(C)C(=O)OCc1ccccc1.CNC(C)=O
InChIInChI=1S/C16H23NO4.C3H7NO/c1-12(2)10-16(3,14(18)19)17(4)15(20)21-11-13-8-6-5-7-9-13;1-3(5)4-2/h5-9,12H,10-11H2,1-4H3,(H,18,19);1-2H3,(H,4,5)/t16-;/m0./s1
InChIKeyYKGVXJVLRGDTBR-NTISSMGPSA-N
XLogP2.90
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 70898291
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
benzyl N-[1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl]-N-methylcarbamate
CID 176618004
benzyl N-ethyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 130159213
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N,N-dimethylcarbamate
CID 12963450
(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 54087673
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
(2R)-2,3-ditert-butyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanedioic acid
CID 22866084

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide?
The IUPAC name of (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide (CID 70611744) is (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide.
What is the SMILES notation for (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide?
The canonical SMILES for (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide is CC(C)C[C@@](C)(C(=O)O)N(C)C(=O)OCc1ccccc1.CNC(C)=O.
What is the InChIKey of (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide?
The InChIKey is YKGVXJVLRGDTBR-NTISSMGPSA-N. The full InChI is InChI=1S/C16H23NO4.C3H7NO/c1-12(2)10-16(3,14(18)19)17(4)15(20)21-11-13-8-6-5-7-9-13;1-3(5)4-2/h5-9,12H,10-11H2,1-4H3,(H,18,19);1-2H3,(H,4,5)/t16-;/m0./s1.
What are the key properties of (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide?
(2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide has a molecular weight of 366.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid;N-methylacetamide is sourced from PubChem (CID 70611744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).