2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol

C11H22N2O3 — CID 121434520

IUPAC2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCCC(C)(C#N)NC(=O)O
InChIInChI=1S/C7H12N2O2.C4H10O/c1-3-4-7(2,5-8)9-6(10)11;1-4(2,3)5/h9H,3-4H2,1-2H3,(H,10,11);5H,1-3H3
InChIKeyQBXAJPDPYWKQHR-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.11
Rot. Bonds3

About 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol

2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol (PubChem CID 121434520) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol.

Molecular Properties

Compound Name2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol
PubChem CID121434520
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.CCCC(C)(C#N)NC(=O)O
InChIInChI=1S/C7H12N2O2.C4H10O/c1-3-4-7(2,5-8)9-6(10)11;1-4(2,3)5/h9H,3-4H2,1-2H3,(H,10,11);5H,1-3H3
InChIKeyQBXAJPDPYWKQHR-UHFFFAOYSA-N
XLogP2.11
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carboxyamino)pentan-2-ylcarbamic acid
CID 174501880
2-hydroxy-2-methylpentanenitrile
CID 10898680
3-chloro-N-(2-cyanopentan-2-yl)-2,4-difluorobenzamide
CID 166404805
N-(2-cyano-4-methoxybutan-2-yl)acetamide
CID 166604136
2-methyl-2-(prop-2-enylamino)pentanenitrile
CID 62354657
(3R)-3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10966249
N-(2-cyanobutan-2-yl)heptanamide
CID 115599534
2-(2-methoxyethylamino)-2-methylpentanenitrile
CID 62541325
benzyl N-[(2R)-2-cyano-4-fluorobutan-2-yl]carbamate
CID 129412139
2-cyano-N-(2-cyanobutan-2-yl)propanamide
CID 131175736
2-methylpropan-2-ol;propan-2-one;hydrate
CID 86602953
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984

Frequently Asked Questions

What is the IUPAC name of 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol?
The IUPAC name of 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol (CID 121434520) is 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol.
What is the SMILES notation for 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol?
The canonical SMILES for 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol is CC(C)(C)O.CCCC(C)(C#N)NC(=O)O.
What is the InChIKey of 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol?
The InChIKey is QBXAJPDPYWKQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.C4H10O/c1-3-4-7(2,5-8)9-6(10)11;1-4(2,3)5/h9H,3-4H2,1-2H3,(H,10,11);5H,1-3H3.
What are the key properties of 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol?
2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanopentan-2-ylcarbamic acid;2-methylpropan-2-ol is sourced from PubChem (CID 121434520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).