(2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide

C11H22N2O2 — CID 61148967

IUPAC(2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?,10-/m0/s1
InChIKeyNIKPPDXTUAZYJI-SMILAEQMSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 61148967) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID61148967
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?,10-/m0/s1
InChIKeyNIKPPDXTUAZYJI-SMILAEQMSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide (CID 61148967) is (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NCC1CCCO1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is NIKPPDXTUAZYJI-SMILAEQMSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8-,9?,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 61148967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).