(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide

C12H24N2O2 — CID 104929437

IUPAC(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
SMILESC=C(C)COCCNC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C12H24N2O2/c1-5-10(4)11(13)12(15)14-6-7-16-8-9(2)3/h10-11H,2,5-8,13H2,1,3-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyFESPCQHUKKGMPV-QWRGUYRKSA-N
MW228.34 g/mol
LogP1.07
Rot. Bonds8

About (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide (PubChem CID 104929437) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
PubChem CID104929437
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
SMILESC=C(C)COCCNC(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C12H24N2O2/c1-5-10(4)11(13)12(15)14-6-7-16-8-9(2)3/h10-11H,2,5-8,13H2,1,3-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyFESPCQHUKKGMPV-QWRGUYRKSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 103832967
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 104929441
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 113258390
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
CID 103832999
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide (CID 104929437) is (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide is C=C(C)COCCNC(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
The InChIKey is FESPCQHUKKGMPV-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-10(4)11(13)12(15)14-6-7-16-8-9(2)3/h10-11H,2,5-8,13H2,1,3-4H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.07, 8 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-[2-(2-methylprop-2-enoxy)ethyl]pentanamide is sourced from PubChem (CID 104929437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).