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

C10H18N2O3 — CID 18391586

IUPAC(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)9(13)12-6-4-3-5-8(11)10(14)15/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeySLDBQSXUDRDNOV-QMMMGPOBSA-N
MW214.26 g/mol
LogP0.26
Rot. Bonds7

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

(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid (PubChem CID 18391586) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
PubChem CID18391586
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
SMILESC=C(C)C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)9(13)12-6-4-3-5-8(11)10(14)15/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeySLDBQSXUDRDNOV-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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Related Compounds

2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)
CID 59856363
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
(2S)-2-amino-6-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]hexanoic acid
CID 51356146
(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid
CID 11641210
actinium;(2S)-2-amino-6-[[(E)-N-hydroxy-C-methylcarbonimidoyl]amino]hexanoic acid;dihydrochloride
CID 172932438
2,6-diaminohexanoic acid;2-methylprop-2-enoic acid
CID 118275559
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid (CID 18391586) is (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid is C=C(C)C(=O)NCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid?
The InChIKey is SLDBQSXUDRDNOV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)9(13)12-6-4-3-5-8(11)10(14)15/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid?
(2S)-2-amino-6-(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)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid is sourced from PubChem (CID 18391586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).