(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide

C10H20N2O — CID 134988377

IUPAC(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
SMILESC=C[C@H](C)[C@@H](N)C(=O)NCCCC
InChIInChI=1S/C10H20N2O/c1-4-6-7-12-10(13)9(11)8(3)5-2/h5,8-9H,2,4,6-7,11H2,1,3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyGBXKVEZOYKOWOB-DTWKUNHWSA-N
MW184.28 g/mol
LogP1.05
Rot. Bonds6

About (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide

(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide (PubChem CID 134988377) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide.

Molecular Properties

Compound Name(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
PubChem CID134988377
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
SMILESC=C[C@H](C)[C@@H](N)C(=O)NCCCC
InChIInChI=1S/C10H20N2O/c1-4-6-7-12-10(13)9(11)8(3)5-2/h5,8-9H,2,4,6-7,11H2,1,3H3,(H,12,13)/t8-,9+/m0/s1
InChIKeyGBXKVEZOYKOWOB-DTWKUNHWSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide?
The IUPAC name of (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide (CID 134988377) is (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide.
What is the SMILES notation for (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide?
The canonical SMILES for (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide is C=C[C@H](C)[C@@H](N)C(=O)NCCCC.
What is the InChIKey of (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide?
The InChIKey is GBXKVEZOYKOWOB-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-7-12-10(13)9(11)8(3)5-2/h5,8-9H,2,4,6-7,11H2,1,3H3,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide?
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide is sourced from PubChem (CID 134988377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).