(Z)-12-amino-3-hydroxydodec-5-enoic acid

C12H23NO3 — CID 146253677

IUPAC(Z)-12-amino-3-hydroxydodec-5-enoic acid
SMILESNCCCCCC/C=C\CC(O)CC(=O)O
InChIInChI=1S/C12H23NO3/c13-9-7-5-3-1-2-4-6-8-11(14)10-12(15)16/h4,6,11,14H,1-3,5,7-10,13H2,(H,15,16)/b6-4-
InChIKeyVLCHKYRUXIGQKU-XQRVVYSFSA-N
MW229.32 g/mol
LogP1.68
Rot. Bonds10

About (Z)-12-amino-3-hydroxydodec-5-enoic acid

(Z)-12-amino-3-hydroxydodec-5-enoic acid (PubChem CID 146253677) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (Z)-12-amino-3-hydroxydodec-5-enoic acid.

Molecular Properties

Compound Name(Z)-12-amino-3-hydroxydodec-5-enoic acid
PubChem CID146253677
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(Z)-12-amino-3-hydroxydodec-5-enoic acid
SMILESNCCCCCC/C=C\CC(O)CC(=O)O
InChIInChI=1S/C12H23NO3/c13-9-7-5-3-1-2-4-6-8-11(14)10-12(15)16/h4,6,11,14H,1-3,5,7-10,13H2,(H,15,16)/b6-4-
InChIKeyVLCHKYRUXIGQKU-XQRVVYSFSA-N
XLogP1.68
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.68
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

3-hydroxytetradec-5-enoic acid
CID 73443469
3,5-dihydroxytetradec-7-enoic acid
CID 54529529
(Z)-16-aminohexadec-9-enoic acid
CID 87215029
(Z)-16-aminohexadec-11-enoic acid
CID 89054374
2-(8-aminooct-1-enyl)butanedioic acid
CID 173347452
(12R,31R)-12,31-dihydroxydotetraconta-9,33-dienedioic acid
CID 54536675
tetradec-7-ene-1,14-diamine
CID 91430908
3-hydroxyhenicosa-12,20-dienoic acid
CID 139805434
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
CID 58271397
CID 58271397

Frequently Asked Questions

What is the IUPAC name of (Z)-12-amino-3-hydroxydodec-5-enoic acid?
The IUPAC name of (Z)-12-amino-3-hydroxydodec-5-enoic acid (CID 146253677) is (Z)-12-amino-3-hydroxydodec-5-enoic acid.
What is the SMILES notation for (Z)-12-amino-3-hydroxydodec-5-enoic acid?
The canonical SMILES for (Z)-12-amino-3-hydroxydodec-5-enoic acid is NCCCCCC/C=C\CC(O)CC(=O)O.
What is the InChIKey of (Z)-12-amino-3-hydroxydodec-5-enoic acid?
The InChIKey is VLCHKYRUXIGQKU-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H23NO3/c13-9-7-5-3-1-2-4-6-8-11(14)10-12(15)16/h4,6,11,14H,1-3,5,7-10,13H2,(H,15,16)/b6-4-.
What are the key properties of (Z)-12-amino-3-hydroxydodec-5-enoic acid?
(Z)-12-amino-3-hydroxydodec-5-enoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.68, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12-amino-3-hydroxydodec-5-enoic acid is sourced from PubChem (CID 146253677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).