(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide

C10H19N3O2 — CID 54448541

IUPAC(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide
SMILESC=C(C)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-7(2)10(15)13-8(9(12)14)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H2,12,14)(H,13,15)/t8-/m0/s1
InChIKeyWTHMCNSDCWFOFU-QMMMGPOBSA-N
MW213.28 g/mol
LogP-0.34
Rot. Bonds7

About (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide

(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide (PubChem CID 54448541) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide
PubChem CID54448541
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide
SMILESC=C(C)C(=O)N[C@@H](CCCCN)C(N)=O
InChIInChI=1S/C10H19N3O2/c1-7(2)10(15)13-8(9(12)14)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H2,12,14)(H,13,15)/t8-/m0/s1
InChIKeyWTHMCNSDCWFOFU-QMMMGPOBSA-N
XLogP-0.34
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide?
The IUPAC name of (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide (CID 54448541) is (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide.
What is the SMILES notation for (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide?
The canonical SMILES for (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide is C=C(C)C(=O)N[C@@H](CCCCN)C(N)=O.
What is the InChIKey of (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide?
The InChIKey is WTHMCNSDCWFOFU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7(2)10(15)13-8(9(12)14)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H2,12,14)(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide?
(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide has a molecular weight of 213.28 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanamide is sourced from PubChem (CID 54448541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).