methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate

C12H24N2O5 — CID 22910160

IUPACmethyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)N(C)CC(O)CO
InChIInChI=1S/C12H24N2O5/c1-8(2)5-10(11(17)19-4)13-12(18)14(3)6-9(16)7-15/h8-10,15-16H,5-7H2,1-4H3,(H,13,18)
InChIKeyDSBQEXPSAXUTBS-UHFFFAOYSA-N
MW276.33 g/mol
LogP-0.43
Rot. Bonds7

About methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate

methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate (PubChem CID 22910160) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate
PubChem CID22910160
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Namemethyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)N(C)CC(O)CO
InChIInChI=1S/C12H24N2O5/c1-8(2)5-10(11(17)19-4)13-12(18)14(3)6-9(16)7-15/h8-10,15-16H,5-7H2,1-4H3,(H,13,18)
InChIKeyDSBQEXPSAXUTBS-UHFFFAOYSA-N
XLogP-0.43
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate with MolForge

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Related Compounds

methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
(2S)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 55005844
(2R)-3-hydroxy-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 80757790
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
2-[ethyl-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822221
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 80757694
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-4-oxobut-2-enoyl]amino]-4-methylpentanoate
CID 11667830
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
methyl (2S)-2-[[(2S)-3-amino-2-hydroxypropanoyl]amino]-4-methylpentanoate
CID 129012241
methyl (2S)-2-[(2-deuterioacetyl)amino]-4-methylpentanoate
CID 57128770

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate (CID 22910160) is methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)N(C)CC(O)CO.
What is the InChIKey of methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate?
The InChIKey is DSBQEXPSAXUTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-8(2)5-10(11(17)19-4)13-12(18)14(3)6-9(16)7-15/h8-10,15-16H,5-7H2,1-4H3,(H,13,18).
What are the key properties of methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate?
methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate has a molecular weight of 276.33 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 22910160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).