(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide

C11H22N2O2 — CID 107569428

IUPAC(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(C)CC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-5-10(12)11(14)13(2)8-9-6-4-7-15-9/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeySQLNGZIBPCXHLB-AXDSSHIGSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide

(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 107569428) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID107569428
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)N(C)CC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-5-10(12)11(14)13(2)8-9-6-4-7-15-9/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1
InChIKeySQLNGZIBPCXHLB-AXDSSHIGSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
(2S)-2-amino-N,3,3-trimethyl-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 119708785
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999
2-amino-N-methyl-N-(oxolan-3-ylmethyl)pentanamide;hydrochloride
CID 119341303
2-amino-N-methyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61436409
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 61435851
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
(2R)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 103794477
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 107569103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide (CID 107569428) is (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide is CCC[C@H](N)C(=O)N(C)CC1CCCO1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is SQLNGZIBPCXHLB-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-10(12)11(14)13(2)8-9-6-4-7-15-9/h9-10H,3-8,12H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide?
(2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 107569428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).