(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide

C12H24N2O2 — CID 103798081

IUPAC(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-4-10(13)11(15)14-9-12(2)5-7-16-8-6-12/h10H,3-9,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyQNFNKXFMZRVDNK-SNVBAGLBSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

About (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide

(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide (PubChem CID 103798081) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
PubChem CID103798081
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-4-10(13)11(15)14-9-12(2)5-7-16-8-6-12/h10H,3-9,13H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyQNFNKXFMZRVDNK-SNVBAGLBSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
CID 119336131
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
CID 106101365
2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742628
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
CID 80736795
(2S)-2-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]butanamide
CID 119886716
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide (CID 103798081) is (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide is CCC[C@@H](N)C(=O)NCC1(C)CCOCC1.
What is the InChIKey of (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide?
The InChIKey is QNFNKXFMZRVDNK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-10(13)11(15)14-9-12(2)5-7-16-8-6-12/h10H,3-9,13H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide?
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide is sourced from PubChem (CID 103798081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).