(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide

C12H24N2O2 — CID 82738020

IUPAC(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)C1CCOC1C
InChIInChI=1S/C12H24N2O2/c1-5-8(2)11(13)12(15)14(4)10-6-7-16-9(10)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1
InChIKeyNLIWLYUUHLUPJX-QUBJWBRDSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide

(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide (PubChem CID 82738020) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
PubChem CID82738020
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)C1CCOC1C
InChIInChI=1S/C12H24N2O2/c1-5-8(2)11(13)12(15)14(4)10-6-7-16-9(10)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1
InChIKeyNLIWLYUUHLUPJX-QUBJWBRDSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
3-chloro-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82734199
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)butanamide
CID 82749456
3-(ethylamino)-N,2-dimethyl-N-(2-methyloxolan-3-yl)propanamide
CID 82738487
5-amino-N,2-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 104685498
5-amino-N-methyl-N-(2-methyloxolan-3-yl)hexanamide
CID 82853868
2-cyano-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738802
2-amino-N-(1,2-dimethylpiperidin-4-yl)-N,3-dimethylpentanamide
CID 119893712
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82749018
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide (CID 82738020) is (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide is CCC(C)[C@H](N)C(=O)N(C)C1CCOC1C.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide?
The InChIKey is NLIWLYUUHLUPJX-QUBJWBRDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-8(2)11(13)12(15)14(4)10-6-7-16-9(10)3/h8-11H,5-7,13H2,1-4H3/t8?,9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide?
(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide is sourced from PubChem (CID 82738020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).