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

C12H26N2O2 — CID 103832967

IUPAC(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCOCC(C)C
InChIInChI=1S/C12H26N2O2/c1-5-10(4)11(13)12(15)14-6-7-16-8-9(2)3/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyIFTKLDZMZBJWLC-QWRGUYRKSA-N
MW230.35 g/mol
LogP1.15
Rot. Bonds8

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

(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide (PubChem CID 103832967) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
PubChem CID103832967
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCOCC(C)C
InChIInChI=1S/C12H26N2O2/c1-5-10(4)11(13)12(15)14-6-7-16-8-9(2)3/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyIFTKLDZMZBJWLC-QWRGUYRKSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 104929437
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
CID 103833000
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588549
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
(2S,3S)-3-methyl-2-[2-(2-methylpropoxy)ethylcarbamoylamino]pentanoic acid
CID 113363354

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide (CID 103832967) is (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NCCOCC(C)C.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
The InChIKey is IFTKLDZMZBJWLC-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-10(4)11(13)12(15)14-6-7-16-8-9(2)3/h9-11H,5-8,13H2,1-4H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.15, 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-methylpropoxy)ethyl]pentanamide is sourced from PubChem (CID 103832967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).