(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide

C9H18N2O2 — CID 106398122

IUPAC(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
SMILESC=CCCOCCNC(=O)[C@@H](C)N
InChIInChI=1S/C9H18N2O2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h3,8H,1,4-7,10H2,2H3,(H,11,12)/t8-/m1/s1
InChIKeyAMCJGCIOXDEECQ-MRVPVSSYSA-N
MW186.25 g/mol
LogP0.04
Rot. Bonds7

About (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide

(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide (PubChem CID 106398122) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
PubChem CID106398122
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
SMILESC=CCCOCCNC(=O)[C@@H](C)N
InChIInChI=1S/C9H18N2O2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h3,8H,1,4-7,10H2,2H3,(H,11,12)/t8-/m1/s1
InChIKeyAMCJGCIOXDEECQ-MRVPVSSYSA-N
XLogP0.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-[2-[2-[[(2S)-2-aminopropanoyl]amino]ethoxy]ethoxy]ethyl]propanamide
CID 15459454
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
2-but-3-enoxyethylurea
CID 103852774
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
2-amino-N-(2-but-3-enoxyethyl)-4-methylsulfonylbutanamide
CID 103950985
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
CID 106398332
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide (CID 106398122) is (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide is C=CCCOCCNC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide?
The InChIKey is AMCJGCIOXDEECQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-4-6-13-7-5-11-9(12)8(2)10/h3,8H,1,4-7,10H2,2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide?
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide has a molecular weight of 186.25 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide is sourced from PubChem (CID 106398122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).