(2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide

C13H26N2O2 — CID 114275004

IUPAC(2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESC=CCCN(C)C(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-9-15(6)12(16)11(14)10(2)17-13(3,4)5/h7,10-11H,1,8-9,14H2,2-6H3/t10-,11+/m1/s1
InChIKeyYMMFBANWZLRBEZ-MNOVXSKESA-N
MW242.36 g/mol
LogP1.55
Rot. Bonds6

About (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide

(2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 114275004) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID114275004
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESC=CCCN(C)C(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-9-15(6)12(16)11(14)10(2)17-13(3,4)5/h7,10-11H,1,8-9,14H2,2-6H3/t10-,11+/m1/s1
InChIKeyYMMFBANWZLRBEZ-MNOVXSKESA-N
XLogP1.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide (CID 114275004) is (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide is C=CCCN(C)C(=O)[C@@H](N)[C@@H](C)OC(C)(C)C.
What is the InChIKey of (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is YMMFBANWZLRBEZ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-8-9-15(6)12(16)11(14)10(2)17-13(3,4)5/h7,10-11H,1,8-9,14H2,2-6H3/t10-,11+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide?
(2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-but-3-enyl-N-methyl-3-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 114275004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).