(2S)-2-aminopentacosanoic acid

C25H51NO2 — CID 158815459

IUPAC(2S)-2-aminopentacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28/h24H,2-23,26H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyIVFCTVVCVQDZTF-DEOSSOPVSA-N
MW397.69 g/mol
LogP8.00
Rot. Bonds23

About (2S)-2-aminopentacosanoic acid

(2S)-2-aminopentacosanoic acid (PubChem CID 158815459) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is (2S)-2-aminopentacosanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopentacosanoic acid
PubChem CID158815459
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC Name(2S)-2-aminopentacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H](N)C(=O)O
InChIInChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28/h24H,2-23,26H2,1H3,(H,27,28)/t24-/m0/s1
InChIKeyIVFCTVVCVQDZTF-DEOSSOPVSA-N
XLogP8.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 58.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2-aminohexadecanoic acid;azane
CID 175267671
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentacosanoic acid?
The IUPAC name of (2S)-2-aminopentacosanoic acid (CID 158815459) is (2S)-2-aminopentacosanoic acid.
What is the SMILES notation for (2S)-2-aminopentacosanoic acid?
The canonical SMILES for (2S)-2-aminopentacosanoic acid is CCCCCCCCCCCCCCCCCCCCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopentacosanoic acid?
The InChIKey is IVFCTVVCVQDZTF-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(26)25(27)28/h24H,2-23,26H2,1H3,(H,27,28)/t24-/m0/s1.
What are the key properties of (2S)-2-aminopentacosanoic acid?
(2S)-2-aminopentacosanoic acid has a molecular weight of 397.69 g/mol, XLogP of 8.00, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentacosanoic acid is sourced from PubChem (CID 158815459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).