2-(11-aminoundecyl)propanedioic acid

C14H27NO4 — CID 87187189

IUPAC2-(11-aminoundecyl)propanedioic acid
SMILESNCCCCCCCCCCCC(C(=O)O)C(=O)O
InChIInChI=1S/C14H27NO4/c15-11-9-7-5-3-1-2-4-6-8-10-12(13(16)17)14(18)19/h12H,1-11,15H2,(H,16,17)(H,18,19)
InChIKeyONALPIQMTAHVGQ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.63
Rot. Bonds13

About 2-(11-aminoundecyl)propanedioic acid

2-(11-aminoundecyl)propanedioic acid (PubChem CID 87187189) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-(11-aminoundecyl)propanedioic acid.

Molecular Properties

Compound Name2-(11-aminoundecyl)propanedioic acid
PubChem CID87187189
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-(11-aminoundecyl)propanedioic acid
SMILESNCCCCCCCCCCCC(C(=O)O)C(=O)O
InChIInChI=1S/C14H27NO4/c15-11-9-7-5-3-1-2-4-6-8-10-12(13(16)17)14(18)19/h12H,1-11,15H2,(H,16,17)(H,18,19)
InChIKeyONALPIQMTAHVGQ-UHFFFAOYSA-N
XLogP2.63
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(7-aminoheptyl)propanedioic acid
CID 90276909
3-(10-aminodecyl)pentane-2,4-dione
CID 71337648
2,13-diaminotridecanoic acid
CID 141414897
1,5-diamino-3-(11-aminoundecyl)pentane-2,4-dione
CID 175384994
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
(2R)-7-amino-2-hydroxyheptanoic acid
CID 144842569
9-amino-2-(2-methylprop-2-enoyl)nonanoic acid
CID 118576620
bis(2-aminoethanol);2-undecylpropanedioic acid
CID 173051434
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
6-amino-2-hydroxyhexanoic acid
CID 517029
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004

Frequently Asked Questions

What is the IUPAC name of 2-(11-aminoundecyl)propanedioic acid?
The IUPAC name of 2-(11-aminoundecyl)propanedioic acid (CID 87187189) is 2-(11-aminoundecyl)propanedioic acid.
What is the SMILES notation for 2-(11-aminoundecyl)propanedioic acid?
The canonical SMILES for 2-(11-aminoundecyl)propanedioic acid is NCCCCCCCCCCCC(C(=O)O)C(=O)O.
What is the InChIKey of 2-(11-aminoundecyl)propanedioic acid?
The InChIKey is ONALPIQMTAHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c15-11-9-7-5-3-1-2-4-6-8-10-12(13(16)17)14(18)19/h12H,1-11,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-(11-aminoundecyl)propanedioic acid?
2-(11-aminoundecyl)propanedioic acid has a molecular weight of 273.37 g/mol, XLogP of 2.63, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-aminoundecyl)propanedioic acid is sourced from PubChem (CID 87187189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).