(2R)-2-aminooct-7-ynoic acid

C8H13NO2 — CID 87403836

IUPAC(2R)-2-aminooct-7-ynoic acid
SMILESC#CCCCC[C@@H](N)C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-6-7(9)8(10)11/h1,7H,3-6,9H2,(H,10,11)/t7-/m1/s1
InChIKeyHYWGKAZTGORCAE-SSDOTTSWSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds5

About (2R)-2-aminooct-7-ynoic acid

(2R)-2-aminooct-7-ynoic acid (PubChem CID 87403836) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2R)-2-aminooct-7-ynoic acid.

Molecular Properties

Compound Name(2R)-2-aminooct-7-ynoic acid
PubChem CID87403836
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2R)-2-aminooct-7-ynoic acid
SMILESC#CCCCC[C@@H](N)C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-3-4-5-6-7(9)8(10)11/h1,7H,3-6,9H2,(H,10,11)/t7-/m1/s1
InChIKeyHYWGKAZTGORCAE-SSDOTTSWSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-6-hex-5-ynoyloxyhexanoic acid
CID 157415496
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diamino-7-but-3-ynoxy-7-oxoheptanoic acid
CID 177255160
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
methyl 2-aminooct-7-ynoate;hydrochloride
CID 86635083
2,6-diaminoheptanedioic acid
CID 865
2-amino-9-(oxo-λ5-phosphanylidyne)nonanoic acid
CID 164896225
2-bromooctadec-17-ynoic acid
CID 102493434
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,10,10-triaminodecanoic acid
CID 141091504
sodium 2,6-diaminohexanoic acid
CID 18320454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-aminooct-7-ynoic acid?
The IUPAC name of (2R)-2-aminooct-7-ynoic acid (CID 87403836) is (2R)-2-aminooct-7-ynoic acid.
What is the SMILES notation for (2R)-2-aminooct-7-ynoic acid?
The canonical SMILES for (2R)-2-aminooct-7-ynoic acid is C#CCCCC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-aminooct-7-ynoic acid?
The InChIKey is HYWGKAZTGORCAE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-5-6-7(9)8(10)11/h1,7H,3-6,9H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-aminooct-7-ynoic acid?
(2R)-2-aminooct-7-ynoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-aminooct-7-ynoic acid is sourced from PubChem (CID 87403836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).