6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid

C10H18N2O3 — CID 10375952

IUPAC6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)9(13)12-8(10(14)15)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)
InChIKeyFQYPKQOQUNFBDP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.26
Rot. Bonds7

About 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid

6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid (PubChem CID 10375952) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid
PubChem CID10375952
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)9(13)12-8(10(14)15)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)
InChIKeyFQYPKQOQUNFBDP-UHFFFAOYSA-N
XLogP0.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.26
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 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid (CID 10375952) is 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid is C=C(C)C(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
The InChIKey is FQYPKQOQUNFBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)9(13)12-8(10(14)15)5-3-4-6-11/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15).
What are the key properties of 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid is sourced from PubChem (CID 10375952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).