(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper

C9H16CuN2O3 — CID 135281325

IUPAC(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper
SMILESC=CC(=O)NCCCC[C@H](N)C(=O)O.[Cu]
InChIInChI=1S/C9H16N2O3.Cu/c1-2-8(12)11-6-4-3-5-7(10)9(13)14;/h2,7H,1,3-6,10H2,(H,11,12)(H,13,14);/t7-;/m0./s1
InChIKeyGZGXLXPYKDBMQH-FJXQXJEOSA-N
MW263.78 g/mol
LogP-0.13
Rot. Bonds7

About (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper

(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper (PubChem CID 135281325) has the molecular formula C9H16CuN2O3 and a molecular weight of 263.78 g/mol. Its IUPAC name is (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper.

Molecular Properties

Compound Name(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper
PubChem CID135281325
Molecular FormulaC9H16CuN2O3
Molecular Weight263.78 g/mol
Exact Mass263.05
IUPAC Name(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper
SMILESC=CC(=O)NCCCC[C@H](N)C(=O)O.[Cu]
InChIInChI=1S/C9H16N2O3.Cu/c1-2-8(12)11-6-4-3-5-7(10)9(13)14;/h2,7H,1,3-6,10H2,(H,11,12)(H,13,14);/t7-;/m0./s1
InChIKeyGZGXLXPYKDBMQH-FJXQXJEOSA-N
XLogP-0.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.78
LogP ≤ 5-0.13
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

6-Acrylamidohexanoic Acid
CID 324200
N2-(2-Methylacryloyl)-L-lysine
CID 18634837
Acrylamidohexanoic acid
CID 22476910
(2S)-2-(methoxycarbonylamino)-6-(prop-2-enoylamino)hexanoic acid
CID 71452150
H-Lys(crotonyl)-OH
CID 91811002
11-(Acryloylamino)undecanoic acid
CID 235171
(S)-2-Amino-6-methacrylamidohexanoic acid
CID 18391586
(Acryloylamino)undecanoic acid
CID 19364831
12-Acrylamido dodecanoic acid
CID 20026787
Crotonyllysine
CID 22838750
7-(Prop-2-enoylamino)heptanoic acid
CID 24699045
Acryloyllysine
CID 53855319

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper?
The IUPAC name of (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper (CID 135281325) is (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper.
What is the SMILES notation for (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper?
The canonical SMILES for (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper is C=CC(=O)NCCCC[C@H](N)C(=O)O.[Cu].
What is the InChIKey of (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper?
The InChIKey is GZGXLXPYKDBMQH-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H16N2O3.Cu/c1-2-8(12)11-6-4-3-5-7(10)9(13)14;/h2,7H,1,3-6,10H2,(H,11,12)(H,13,14);/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper?
(2S)-2-amino-6-(prop-2-enoylamino)hexanoic acid;copper has a molecular weight of 263.78 g/mol, XLogP of -0.13, 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-(prop-2-enoylamino)hexanoic acid;copper is sourced from PubChem (CID 135281325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).