N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

C15H28N2O3 — CID 75367059

IUPACN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)7-13(18)16-8-12-14(19)11(9-20-12)17-10-5-4-6-10/h10-12,14,17,19H,4-9H2,1-3H3,(H,16,18)/t11-,12-,14+/m1/s1
InChIKeyAQTPRLNGAHRLHL-BZPMIXESSA-N
MW284.40 g/mol
LogP0.81
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide

N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide (PubChem CID 75367059) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
PubChem CID75367059
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O
InChIInChI=1S/C15H28N2O3/c1-15(2,3)7-13(18)16-8-12-14(19)11(9-20-12)17-10-5-4-6-10/h10-12,14,17,19H,4-9H2,1-3H3,(H,16,18)/t11-,12-,14+/m1/s1
InChIKeyAQTPRLNGAHRLHL-BZPMIXESSA-N
XLogP0.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide (CID 75367059) is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
The InChIKey is AQTPRLNGAHRLHL-BZPMIXESSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)7-13(18)16-8-12-14(19)11(9-20-12)17-10-5-4-6-10/h10-12,14,17,19H,4-9H2,1-3H3,(H,16,18)/t11-,12-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide?
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide has a molecular weight of 284.40 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 75367059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).