(2S)-2-amino-4-dec-9-enylpentanedioic acid

C15H27NO4 — CID 18396854

IUPAC(2S)-2-amino-4-dec-9-enylpentanedioic acid
SMILESC=CCCCCCCCCC(C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C15H27NO4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(16)15(19)20/h2,12-13H,1,3-11,16H2,(H,17,18)(H,19,20)/t12?,13-/m0/s1
InChIKeyQFFAJLRRGPKFSK-ABLWVSNPSA-N
MW285.38 g/mol
LogP2.80
Rot. Bonds13

About (2S)-2-amino-4-dec-9-enylpentanedioic acid

(2S)-2-amino-4-dec-9-enylpentanedioic acid (PubChem CID 18396854) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (2S)-2-amino-4-dec-9-enylpentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-dec-9-enylpentanedioic acid
PubChem CID18396854
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(2S)-2-amino-4-dec-9-enylpentanedioic acid
SMILESC=CCCCCCCCCC(C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C15H27NO4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(16)15(19)20/h2,12-13H,1,3-11,16H2,(H,17,18)(H,19,20)/t12?,13-/m0/s1
InChIKeyQFFAJLRRGPKFSK-ABLWVSNPSA-N
XLogP2.80
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
2-prop-2-enyldodec-11-enoic acid
CID 88827199
2-prop-2-enyldec-9-enoic acid
CID 90413259
(2R)-2-aminohept-6-enoic acid
CID 71352792
2-pentyldec-9-enoic acid
CID 175975601
2-oct-7-enylpentanedioic acid
CID 45359271
2-(methoxymethyl)non-8-enoic acid
CID 90389869
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
2-(2-aminoethyl)hept-6-enoic acid
CID 104681057
sodium 3-carboxynon-8-enoate
CID 102118555
sodium;2-hex-5-enylhexanedioic acid;hydride
CID 175176644
2-but-3-enyldecanoic acid;sulfane
CID 174631215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-dec-9-enylpentanedioic acid?
The IUPAC name of (2S)-2-amino-4-dec-9-enylpentanedioic acid (CID 18396854) is (2S)-2-amino-4-dec-9-enylpentanedioic acid.
What is the SMILES notation for (2S)-2-amino-4-dec-9-enylpentanedioic acid?
The canonical SMILES for (2S)-2-amino-4-dec-9-enylpentanedioic acid is C=CCCCCCCCCC(C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-dec-9-enylpentanedioic acid?
The InChIKey is QFFAJLRRGPKFSK-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H27NO4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(16)15(19)20/h2,12-13H,1,3-11,16H2,(H,17,18)(H,19,20)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-4-dec-9-enylpentanedioic acid?
(2S)-2-amino-4-dec-9-enylpentanedioic acid has a molecular weight of 285.38 g/mol, XLogP of 2.80, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-dec-9-enylpentanedioic acid is sourced from PubChem (CID 18396854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).