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

C10H18N2O3 — CID 18634837

IUPAC(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)N[C@@H](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)/t8-/m0/s1
InChIKeyFQYPKQOQUNFBDP-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.26
Rot. Bonds7

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

(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid (PubChem CID 18634837) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid
PubChem CID18634837
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)N[C@@H](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)/t8-/m0/s1
InChIKeyFQYPKQOQUNFBDP-QMMMGPOBSA-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 (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid (CID 18634837) is (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid is C=C(C)C(=O)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
The InChIKey is FQYPKQOQUNFBDP-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid?
(2S)-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 (2S)-6-amino-2-(2-methylprop-2-enoylamino)hexanoic acid is sourced from PubChem (CID 18634837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).