(2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid

C15H20N2O3 — CID 161082812

IUPAC(2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid
SMILESN[C@@H](CCCCNC(=O)C1=C/C=C\C=C/C=C1)C(=O)O
InChIInChI=1S/C15H20N2O3/c16-13(15(19)20)10-6-7-11-17-14(18)12-8-4-2-1-3-5-9-12/h1-5,8-9,13H,6-7,10-11,16H2,(H,17,18)(H,19,20)/b2-1-,3-1-,4-2-,5-3?,8-4?,9-5?,12-8?,12-9?/t13-/m0/s1
InChIKeyLOTQEIDWDCYOCA-RXRCLHJBSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds7

About (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid

(2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid (PubChem CID 161082812) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid
PubChem CID161082812
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid
SMILESN[C@@H](CCCCNC(=O)C1=C/C=C\C=C/C=C1)C(=O)O
InChIInChI=1S/C15H20N2O3/c16-13(15(19)20)10-6-7-11-17-14(18)12-8-4-2-1-3-5-9-12/h1-5,8-9,13H,6-7,10-11,16H2,(H,17,18)(H,19,20)/b2-1-,3-1-,4-2-,5-3?,8-4?,9-5?,12-8?,12-9?/t13-/m0/s1
InChIKeyLOTQEIDWDCYOCA-RXRCLHJBSA-N
XLogP1.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminopropyl)cyclooctatetraenecarboxamide
CID 172858129
(2S)-2-amino-6-[(4-aminobenzoyl)amino]hexanoic acid
CID 70353770
2-amino-6-(methylsulfanylcarbonylamino)hexanoic acid
CID 134355075
(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 67015249
(2S)-2-amino-6-[(4-ethenylbenzoyl)amino]hexanoic acid
CID 102361708
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
(2S)-2-amino-6-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid
CID 167312289
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
6-[(3-acetylbenzoyl)amino]-2-aminohexanoic acid
CID 76799570
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid (CID 161082812) is (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid is N[C@@H](CCCCNC(=O)C1=C/C=C\C=C/C=C1)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid?
The InChIKey is LOTQEIDWDCYOCA-RXRCLHJBSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-13(15(19)20)10-6-7-11-17-14(18)12-8-4-2-1-3-5-9-12/h1-5,8-9,13H,6-7,10-11,16H2,(H,17,18)(H,19,20)/b2-1-,3-1-,4-2-,5-3?,8-4?,9-5?,12-8?,12-9?/t13-/m0/s1.
What are the key properties of (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid?
(2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(cyclooctatetraenecarbonylamino)hexanoic acid is sourced from PubChem (CID 161082812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).