benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate

C14H21NO4 — CID 139247228

IUPACbenzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
SMILESC[C@@H](O)C(C)(NC(=O)OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H21NO4/c1-10(16)14(3,11(2)17)15-13(18)19-9-12-7-5-4-6-8-12/h4-8,10-11,16-17H,9H2,1-3H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyLIVYAXWXMDHMCM-GHMZBOCLSA-N
MW267.32 g/mol
LogP1.43
Rot. Bonds5

About benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate

benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate (PubChem CID 139247228) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
PubChem CID139247228
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namebenzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
SMILESC[C@@H](O)C(C)(NC(=O)OCc1ccccc1)[C@@H](C)O
InChIInChI=1S/C14H21NO4/c1-10(16)14(3,11(2)17)15-13(18)19-9-12-7-5-4-6-8-12/h4-8,10-11,16-17H,9H2,1-3H3,(H,15,18)/t10-,11-/m1/s1
InChIKeyLIVYAXWXMDHMCM-GHMZBOCLSA-N
XLogP1.43
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
CID 11208783
(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 118276566
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
benzyl N-[(3S,4S,5S)-5-hydroxy-3-methyl-4-phenylmethoxyhex-1-yn-3-yl]carbamate
CID 11394509
(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 54087673
(3S)-3,5-dimethyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 54094941
benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
CID 126765970
methyl 2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanethioyl]amino]propanoate
CID 100978063
tert-butyl 2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 5256418
tert-butyl (2S,3R)-3-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)-2-propan-2-ylpentanoate
CID 11068916
2-[2-methyl-2-(phenylmethoxycarbonylamino)propylidene]propanedioic acid
CID 68666360
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate?
The IUPAC name of benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate (CID 139247228) is benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate is C[C@@H](O)C(C)(NC(=O)OCc1ccccc1)[C@@H](C)O.
What is the InChIKey of benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate?
The InChIKey is LIVYAXWXMDHMCM-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(16)14(3,11(2)17)15-13(18)19-9-12-7-5-4-6-8-12/h4-8,10-11,16-17H,9H2,1-3H3,(H,15,18)/t10-,11-/m1/s1.
What are the key properties of benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate?
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate has a molecular weight of 267.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate is sourced from PubChem (CID 139247228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).