(2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide

C15H28N2O4 — CID 124874892

IUPAC(2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(=O)NCCO
InChIInChI=1S/C15H28N2O4/c1-9(2)7-12(14(19)16-5-6-18)17-15(20)13-10(3)8-11(4)21-13/h9-13,18H,5-8H2,1-4H3,(H,16,19)(H,17,20)/t10-,11-,12+,13-/m1/s1
InChIKeyQZLPKLUDNGENHM-FVCCEPFGSA-N
MW300.40 g/mol
LogP0.44
Rot. Bonds7

About (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide

(2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide (PubChem CID 124874892) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide
PubChem CID124874892
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(=O)NCCO
InChIInChI=1S/C15H28N2O4/c1-9(2)7-12(14(19)16-5-6-18)17-15(20)13-10(3)8-11(4)21-13/h9-13,18H,5-8H2,1-4H3,(H,16,19)(H,17,20)/t10-,11-,12+,13-/m1/s1
InChIKeyQZLPKLUDNGENHM-FVCCEPFGSA-N
XLogP0.44
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide 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

3-[[1-(5-hydroxypentylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
CID 3074703
(2S,3S)-N-[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-3-(propylaminocarbamoyl)oxirane-2-carboxamide
CID 71739652
(2S)-N-[(2S)-1-[[(3R)-4-hydroxy-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]oxirane-2-carboxamide
CID 155018153
sodium;(2S,3S)-3-[[(2S)-1-[2-(diethylamino)ethylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid;hydride
CID 173427162
ethyl (2S)-3-[[1-(2-methoxyethylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 168985856
3-[[(2S)-1-[[(5S)-5-amino-5-carboxypentyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylic acid
CID 3074704
2-iodoethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 15168143
(2S,3S)-3-[[(2S)-1-[4-(diaminomethylideneazaniumyl)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 164575936
(4S,5S)-5-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate
CID 18652004
(3S)-3-N-[2-(4-hydroxyphenyl)ethyl]-2-N-[(2S)-4-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]oxirane-2,3-dicarboxamide
CID 59763547
(3S)-2-N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide
CID 59763595
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
CID 43404380

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide (CID 124874892) is (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1O[C@H](C)C[C@H]1C)C(=O)NCCO.
What is the InChIKey of (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide?
The InChIKey is QZLPKLUDNGENHM-FVCCEPFGSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-9(2)7-12(14(19)16-5-6-18)17-15(20)13-10(3)8-11(4)21-13/h9-13,18H,5-8H2,1-4H3,(H,16,19)(H,17,20)/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide?
(2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-N-[(2S)-1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]-3,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 124874892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).