(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide

C12H24N2O2 — CID 103833000

IUPAC(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCOCC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-9(2)11(13)12(15)14-6-7-16-8-10-4-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyAEDFFTFDGQCYOW-ONGXEEELSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds8

About (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide (PubChem CID 103833000) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
PubChem CID103833000
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCOCC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-9(2)11(13)12(15)14-6-7-16-8-10-4-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyAEDFFTFDGQCYOW-ONGXEEELSA-N
XLogP0.90
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 ≤ 50.90
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

2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 103832967
2-amino-N-[2-(cyclopropylmethoxy)ethyl]butanediamide
CID 103827564
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 104929437
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391
(2S)-2-amino-3-methyl-N-(thian-4-ylmethyl)pentanamide
CID 67292005
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide
CID 97318732

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide (CID 103833000) is (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NCCOCC1CC1.
What is the InChIKey of (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide?
The InChIKey is AEDFFTFDGQCYOW-ONGXEEELSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9(2)11(13)12(15)14-6-7-16-8-10-4-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 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-N-[2-(cyclopropylmethoxy)ethyl]-3-methylpentanamide is sourced from PubChem (CID 103833000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).