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

C11H20N2O3 — CID 75367055

IUPACN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O
InChIInChI=1S/C11H20N2O3/c1-7(14)12-5-10-11(15)9(6-16-10)13-8-3-2-4-8/h8-11,13,15H,2-6H2,1H3,(H,12,14)/t9-,10-,11+/m1/s1
InChIKeySJHBIBWCKVQUAW-MXWKQRLJSA-N
MW228.29 g/mol
LogP-0.61
Rot. Bonds4

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

N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide (PubChem CID 75367055) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
PubChem CID75367055
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O
InChIInChI=1S/C11H20N2O3/c1-7(14)12-5-10-11(15)9(6-16-10)13-8-3-2-4-8/h8-11,13,15H,2-6H2,1H3,(H,12,14)/t9-,10-,11+/m1/s1
InChIKeySJHBIBWCKVQUAW-MXWKQRLJSA-N
XLogP-0.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75367060
N-[[(2R,3S,4R)-4-[(4,4-difluorocyclohexyl)amino]-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 75536499
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536512
(2S,3S,4S)-4-amino-2-[(heptylamino)methyl]oxolan-3-ol
CID 145971337
(2S,3R,4S)-4-amino-2-[(heptylamino)methyl]oxolan-3-ol
CID 145976067
(2S,3R,4R)-4-amino-2-(diethylaminomethyl)oxolan-3-ol
CID 125416320
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 75367056
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 75367058
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75367059
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75367063
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 75367073
N-[[(2R,3S,4R)-4-(cyclopentylamino)-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 75367074

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide (CID 75367055) is N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide is 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]acetamide?
The InChIKey is SJHBIBWCKVQUAW-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(14)12-5-10-11(15)9(6-16-10)13-8-3-2-4-8/h8-11,13,15H,2-6H2,1H3,(H,12,14)/t9-,10-,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R)-4-(cyclobutylamino)-3-hydroxyoxolan-2-yl]methyl]acetamide has a molecular weight of 228.29 g/mol, XLogP of -0.61, 4 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]acetamide is sourced from PubChem (CID 75367055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).