(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate

C7H14N2O5 — CID 161039387

IUPAC(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
SMILESCC(C)(CO)C(OC(N)=O)OC(N)=O
InChIInChI=1S/C7H14N2O5/c1-7(2,3-10)4(13-5(8)11)14-6(9)12/h4,10H,3H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyUARKYTPYQNBPIW-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.48
Rot. Bonds4

About (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate

(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate (PubChem CID 161039387) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate.

Molecular Properties

Compound Name(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
PubChem CID161039387
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
SMILESCC(C)(CO)C(OC(N)=O)OC(N)=O
InChIInChI=1S/C7H14N2O5/c1-7(2,3-10)4(13-5(8)11)14-6(9)12/h4,10H,3H2,1-2H3,(H2,8,11)(H2,9,12)
InChIKeyUARKYTPYQNBPIW-UHFFFAOYSA-N
XLogP-0.48
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2,3,3-trimethylbutanamide
CID 55284516
[(2S)-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 87120669
(1-amino-4,4-dimethylpentan-3-yl) carbamate;hydrochloride
CID 140664667
2-ethyl-4-hydroxy-3,3-dimethylbutanamide
CID 89123661
(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid;guanidine
CID 88797695
[(4R)-4-amino-2,2-dimethylpentan-3-yl] carbamate
CID 87581677
[3-[3-[3-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2,2-bis[[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]propoxy]-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 88981172
(1-chloro-3,3-dimethylbutan-2-yl) carbamate
CID 54122830
[(2S)-3-tert-butyl-3-carbamoyloxy-1-hydroxy-4,4-dimethylpentan-2-yl] carbamate
CID 91312567
(1-hydroxy-3,3-dimethylhept-6-en-2-yl) carbamate
CID 175585299
(5-amino-2,2,5-trimethylhexan-3-yl) carbamate
CID 150297531
(1-hydroxy-2,2-dimethylhexan-3-yl) 2-methylpropanoate
CID 3020767

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate?
The IUPAC name of (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate (CID 161039387) is (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate.
What is the SMILES notation for (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate?
The canonical SMILES for (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate is CC(C)(CO)C(OC(N)=O)OC(N)=O.
What is the InChIKey of (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate?
The InChIKey is UARKYTPYQNBPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5/c1-7(2,3-10)4(13-5(8)11)14-6(9)12/h4,10H,3H2,1-2H3,(H2,8,11)(H2,9,12).
What are the key properties of (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate?
(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate has a molecular weight of 206.20 g/mol, XLogP of -0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate is sourced from PubChem (CID 161039387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).