(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide

C12H24N2O2 — CID 155960645

IUPAC(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
SMILESCC[C@H](C)[C@@H](O)C(=O)NCCN1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-10(2)11(15)12(16)13-6-9-14-7-4-5-8-14/h10-11,15H,3-9H2,1-2H3,(H,13,16)/t10-,11+/m0/s1
InChIKeyLCOQTCHIROREEZ-WDEREUQCSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds6

About (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide

(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide (PubChem CID 155960645) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
PubChem CID155960645
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
SMILESCC[C@H](C)[C@@H](O)C(=O)NCCN1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-10(2)11(15)12(16)13-6-9-14-7-4-5-8-14/h10-11,15H,3-9H2,1-2H3,(H,13,16)/t10-,11+/m0/s1
InChIKeyLCOQTCHIROREEZ-WDEREUQCSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
2-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 65229412
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
CID 79201801
2-ethyl-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 71199259
2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 47168553
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The IUPAC name of (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide (CID 155960645) is (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide.
What is the SMILES notation for (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The canonical SMILES for (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide is CC[C@H](C)[C@@H](O)C(=O)NCCN1CCCC1.
What is the InChIKey of (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The InChIKey is LCOQTCHIROREEZ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-10(2)11(15)12(16)13-6-9-14-7-4-5-8-14/h10-11,15H,3-9H2,1-2H3,(H,13,16)/t10-,11+/m0/s1.
What are the key properties of (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide is sourced from PubChem (CID 155960645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).