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

C10H23N3O2 — CID 87447047

IUPAC(2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid
SMILESCCCCNN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-2-3-8-12-13-9(10(14)15)6-4-5-7-11/h9,12-13H,2-8,11H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyCRVWTAATHHCFGE-VIFPVBQESA-N
MW217.31 g/mol
LogP0.46
Rot. Bonds10

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

(2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid (PubChem CID 87447047) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid
PubChem CID87447047
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name(2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid
SMILESCCCCNN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H23N3O2/c1-2-3-8-12-13-9(10(14)15)6-4-5-7-11/h9,12-13H,2-8,11H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyCRVWTAATHHCFGE-VIFPVBQESA-N
XLogP0.46
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-amino-2-(2-pentylhydrazinyl)pentanoic acid
CID 88759035
(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid
CID 18638457
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316
(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
CID 174159805
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid (CID 87447047) is (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid is CCCCNN[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid?
The InChIKey is CRVWTAATHHCFGE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N3O2/c1-2-3-8-12-13-9(10(14)15)6-4-5-7-11/h9,12-13H,2-8,11H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid?
(2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid has a molecular weight of 217.31 g/mol, XLogP of 0.46, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(2-butylhydrazinyl)hexanoic acid is sourced from PubChem (CID 87447047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).