5-aminododecanedioic acid

C12H23NO4 — CID 3835680

IUPAC5-aminododecanedioic acid
SMILESNC(CCCCCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C12H23NO4/c13-10(7-5-9-12(16)17)6-3-1-2-4-8-11(14)15/h10H,1-9,13H2,(H,14,15)(H,16,17)
InChIKeyCNLKLLIIKYJMJD-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.99
Rot. Bonds11

About 5-aminododecanedioic acid

5-aminododecanedioic acid (PubChem CID 3835680) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-aminododecanedioic acid.

Molecular Properties

Compound Name5-aminododecanedioic acid
PubChem CID3835680
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name5-aminododecanedioic acid
SMILESNC(CCCCCCC(=O)O)CCCC(=O)O
InChIInChI=1S/C12H23NO4/c13-10(7-5-9-12(16)17)6-3-1-2-4-8-11(14)15/h10H,1-9,13H2,(H,14,15)(H,16,17)
InChIKeyCNLKLLIIKYJMJD-UHFFFAOYSA-N
XLogP1.99
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,12-diaminoheptadecanedioic acid
CID 23455605
9-aminopentadecanoic acid
CID 87304604
7-aminoundecanoic acid
CID 87457372
11-aminotetradecanoic acid
CID 87305919
3-aminodocosanedioic acid
CID 57269564
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
5-hydroxytridecanedioic acid
CID 139805426
4,9-diaminononanoic acid
CID 88791042
(6S)-6-aminoheptanoic acid
CID 54134193
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224

Frequently Asked Questions

What is the IUPAC name of 5-aminododecanedioic acid?
The IUPAC name of 5-aminododecanedioic acid (CID 3835680) is 5-aminododecanedioic acid.
What is the SMILES notation for 5-aminododecanedioic acid?
The canonical SMILES for 5-aminododecanedioic acid is NC(CCCCCCC(=O)O)CCCC(=O)O.
What is the InChIKey of 5-aminododecanedioic acid?
The InChIKey is CNLKLLIIKYJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c13-10(7-5-9-12(16)17)6-3-1-2-4-8-11(14)15/h10H,1-9,13H2,(H,14,15)(H,16,17).
What are the key properties of 5-aminododecanedioic acid?
5-aminododecanedioic acid has a molecular weight of 245.32 g/mol, XLogP of 1.99, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminododecanedioic acid is sourced from PubChem (CID 3835680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).