(3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide

C12H21NO4 — CID 170990565

IUPAC(3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide
SMILESCC1OC(=O)[C@@H](NC(=O)C[C@@H](O)C(C)C)C1C
InChIInChI=1S/C12H21NO4/c1-6(2)9(14)5-10(15)13-11-7(3)8(4)17-12(11)16/h6-9,11,14H,5H2,1-4H3,(H,13,15)/t7?,8?,9-,11+/m1/s1
InChIKeyPMNSQGJMCCEKKV-CKQMPDBCSA-N
MW243.30 g/mol
LogP0.46
Rot. Bonds4

About (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide

(3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide (PubChem CID 170990565) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide
PubChem CID170990565
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide
SMILESCC1OC(=O)[C@@H](NC(=O)C[C@@H](O)C(C)C)C1C
InChIInChI=1S/C12H21NO4/c1-6(2)9(14)5-10(15)13-11-7(3)8(4)17-12(11)16/h6-9,11,14H,5H2,1-4H3,(H,13,15)/t7?,8?,9-,11+/m1/s1
InChIKeyPMNSQGJMCCEKKV-CKQMPDBCSA-N
XLogP0.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Thr-Leu
CID 7021828
Thr-Ile
CID 57281443
N-(3-hydroxy-butanoyl)-homoserine lactone
CID 10330086
Leucyl-4-hydroxyproline
CID 21777566
Theonylleucine
CID 7021827
l-Hydroxyprolyl-l-leucine
CID 49864480
3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]decanamide
CID 71353010
4-methyl-N-[(3S)-2-oxooxolan-3-yl]pentanamide
CID 100954884
2-[[2-[(2-Amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 335436
Thr-Val-Leu
CID 49864481
Hydroxyprolyl-Isoleucine
CID 61157357
N-(3-hydroxy-octanoyl)-homoserine lactone
CID 66769741

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide?
The IUPAC name of (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide (CID 170990565) is (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide.
What is the SMILES notation for (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide?
The canonical SMILES for (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide is CC1OC(=O)[C@@H](NC(=O)C[C@@H](O)C(C)C)C1C.
What is the InChIKey of (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide?
The InChIKey is PMNSQGJMCCEKKV-CKQMPDBCSA-N. The full InChI is InChI=1S/C12H21NO4/c1-6(2)9(14)5-10(15)13-11-7(3)8(4)17-12(11)16/h6-9,11,14H,5H2,1-4H3,(H,13,15)/t7?,8?,9-,11+/m1/s1.
What are the key properties of (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide?
(3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide has a molecular weight of 243.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3S)-4,5-dimethyl-2-oxooxolan-3-yl]-3-hydroxy-4-methylpentanamide is sourced from PubChem (CID 170990565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).