(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide

C13H26N2O3 — CID 79013082

IUPAC(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-10(2)12(14)13(16)15-6-4-7-17-9-11-5-3-8-18-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t11?,12-/m1/s1
InChIKeyMANBTXJAPWRRJP-PIJUOVFKSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds8

About (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide

(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide (PubChem CID 79013082) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
PubChem CID79013082
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
SMILESCC(C)[C@@H](N)C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C13H26N2O3/c1-10(2)12(14)13(16)15-6-4-7-17-9-11-5-3-8-18-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t11?,12-/m1/s1
InChIKeyMANBTXJAPWRRJP-PIJUOVFKSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-hydroxyethyl N-[3-(oxolan-2-ylmethoxy)propyl]carbamate
CID 79345576
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
7-amino-N-[3-(oxolan-2-ylmethoxy)propyl]heptanamide
CID 61274559
(2S)-2-amino-3-methyl-N-[2-[methyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]butanamide
CID 82961613
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408600
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide (CID 79013082) is (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide is CC(C)[C@@H](N)C(=O)NCCCOCC1CCCO1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
The InChIKey is MANBTXJAPWRRJP-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)12(14)13(16)15-6-4-7-17-9-11-5-3-8-18-11/h10-12H,3-9,14H2,1-2H3,(H,15,16)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide?
(2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide is sourced from PubChem (CID 79013082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).