propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate

C8H17NO4 — CID 66170109

IUPACpropan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
SMILESCC(C)OC(=O)NCC(C)(O)CO
InChIInChI=1S/C8H17NO4/c1-6(2)13-7(11)9-4-8(3,12)5-10/h6,10,12H,4-5H2,1-3H3,(H,9,11)
InChIKeyXPDMWRSSCYFIGX-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.14
Rot. Bonds4

About propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate

propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate (PubChem CID 66170109) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
PubChem CID66170109
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Namepropan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
SMILESCC(C)OC(=O)NCC(C)(O)CO
InChIInChI=1S/C8H17NO4/c1-6(2)13-7(11)9-4-8(3,12)5-10/h6,10,12H,4-5H2,1-3H3,(H,9,11)
InChIKeyXPDMWRSSCYFIGX-UHFFFAOYSA-N
XLogP-0.14
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 66174218
propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
CID 114464301
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
N-(2,3-dihydroxy-2-methylpropyl)-2-methylpropanamide
CID 66168288
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate
CID 89000381
2-(azetidin-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 116678297
propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
CID 106250964
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
N-(2,3-dihydroxy-2-methylpropyl)-3-(ethylamino)-2-methylpropanamide
CID 66185352
propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
CID 64557205
(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
CID 103930127

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate?
The IUPAC name of propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate (CID 66170109) is propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate?
The canonical SMILES for propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate is CC(C)OC(=O)NCC(C)(O)CO.
What is the InChIKey of propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate?
The InChIKey is XPDMWRSSCYFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-6(2)13-7(11)9-4-8(3,12)5-10/h6,10,12H,4-5H2,1-3H3,(H,9,11).
What are the key properties of propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate?
propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate has a molecular weight of 191.23 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate is sourced from PubChem (CID 66170109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).