[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid

C10H16N2O3 — CID 67079210

IUPAC[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid
SMILESCN(C(=O)O)[C@H](C#N)CC1CCCOC1
InChIInChI=1S/C10H16N2O3/c1-12(10(13)14)9(6-11)5-8-3-2-4-15-7-8/h8-9H,2-5,7H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeySKGCLFINIRDKNE-GKAPJAKFSA-N
MW212.25 g/mol
LogP1.31
Rot. Bonds3

About [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid

[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid (PubChem CID 67079210) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid.

Molecular Properties

Compound Name[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid
PubChem CID67079210
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid
SMILESCN(C(=O)O)[C@H](C#N)CC1CCCOC1
InChIInChI=1S/C10H16N2O3/c1-12(10(13)14)9(6-11)5-8-3-2-4-15-7-8/h8-9H,2-5,7H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeySKGCLFINIRDKNE-GKAPJAKFSA-N
XLogP1.31
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-(aminomethyl)-3-[(3R)-oxan-3-yl]propyl]-tert-butylcarbamic acid
CID 67251502
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-[methyl-[2-(oxan-3-yl)acetyl]amino]butanoic acid
CID 110837484
3-methyl-2-[methyl-[2-(oxan-3-yl)acetyl]amino]butanoic acid
CID 110837478
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
[(2R)-1-amino-3-[(3R)-oxan-3-yl]propan-2-yl]-(2,2-dimethylpropyl)carbamic acid
CID 67251853
cyano N-methyl-N-[2-[(3S)-oxan-3-yl]ethyl]carbamate
CID 68723602
4-amino-5-(oxan-3-yl)pentanoic acid
CID 63741616
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
3-(oxan-3-yl)-2-(trifluoromethylsulfonyloxy)propanoic acid
CID 91598779

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid?
The IUPAC name of [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid (CID 67079210) is [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid.
What is the SMILES notation for [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid?
The canonical SMILES for [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid is CN(C(=O)O)[C@H](C#N)CC1CCCOC1.
What is the InChIKey of [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid?
The InChIKey is SKGCLFINIRDKNE-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12(10(13)14)9(6-11)5-8-3-2-4-15-7-8/h8-9H,2-5,7H2,1H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid?
[(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid has a molecular weight of 212.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyano-2-(oxan-3-yl)ethyl]-methylcarbamic acid is sourced from PubChem (CID 67079210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).