12-aminododecanoic acid;carbamic acid

C13H28N2O4 — CID 157488032

IUPAC12-aminododecanoic acid;carbamic acid
SMILESNC(=O)O.NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H25NO2.CH3NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;2-1(3)4/h1-11,13H2,(H,14,15);2H2,(H,3,4)
InChIKeyBWYDNPABPIDUQN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.55
Rot. Bonds11

About 12-aminododecanoic acid;carbamic acid

12-aminododecanoic acid;carbamic acid (PubChem CID 157488032) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is 12-aminododecanoic acid;carbamic acid.

Molecular Properties

Compound Name12-aminododecanoic acid;carbamic acid
PubChem CID157488032
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name12-aminododecanoic acid;carbamic acid
SMILESNC(=O)O.NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H25NO2.CH3NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;2-1(3)4/h1-11,13H2,(H,14,15);2H2,(H,3,4)
InChIKeyBWYDNPABPIDUQN-UHFFFAOYSA-N
XLogP2.55
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
alumane;6-aminohexanoic acid;zirconium;hydrochloride
CID 173334193
12-amino-7-oxododecanoic acid
CID 4206597
4-aminobutanoic acid;urea
CID 87654258

Frequently Asked Questions

What is the IUPAC name of 12-aminododecanoic acid;carbamic acid?
The IUPAC name of 12-aminododecanoic acid;carbamic acid (CID 157488032) is 12-aminododecanoic acid;carbamic acid.
What is the SMILES notation for 12-aminododecanoic acid;carbamic acid?
The canonical SMILES for 12-aminododecanoic acid;carbamic acid is NC(=O)O.NCCCCCCCCCCCC(=O)O.
What is the InChIKey of 12-aminododecanoic acid;carbamic acid?
The InChIKey is BWYDNPABPIDUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.CH3NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;2-1(3)4/h1-11,13H2,(H,14,15);2H2,(H,3,4).
What are the key properties of 12-aminododecanoic acid;carbamic acid?
12-aminododecanoic acid;carbamic acid has a molecular weight of 276.38 g/mol, XLogP of 2.55, 11 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-aminododecanoic acid;carbamic acid is sourced from PubChem (CID 157488032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).