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

C13H28N2O2 — CID 61155526

IUPAC(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCCOCC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-11(4)12(14)13(16)15-7-6-8-17-9-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyBXPJKGFVKVXZQV-RYUDHWBXSA-N
MW244.38 g/mol
LogP1.54
Rot. Bonds9

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

(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide (PubChem CID 61155526) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
PubChem CID61155526
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCCCOCC(C)C
InChIInChI=1S/C13H28N2O2/c1-5-11(4)12(14)13(16)15-7-6-8-17-9-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyBXPJKGFVKVXZQV-RYUDHWBXSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.54
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-[2-(2-methylpropoxy)ethyl]pentanamide
CID 103832967
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-methylpentanamide
CID 43515321
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)pentanamide
CID 114137059
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
7-[[(2S)-2-amino-3-methylpentanoyl]amino]heptanoic acid
CID 61172355

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide (CID 61155526) is (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NCCCOCC(C)C.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide?
The InChIKey is BXPJKGFVKVXZQV-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-11(4)12(14)13(16)15-7-6-8-17-9-10(2)3/h10-12H,5-9,14H2,1-4H3,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide has a molecular weight of 244.38 g/mol, XLogP of 1.54, 9 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-[3-(2-methylpropoxy)propyl]pentanamide is sourced from PubChem (CID 61155526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).