(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid

C9H18N2O2 — CID 141276887

IUPAC(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid
SMILESCC=CN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-2-7-11-8(9(12)13)5-3-4-6-10/h2,7-8,11H,3-6,10H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyZALUIVZYXPTUIP-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.69
Rot. Bonds7

About (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid

(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid (PubChem CID 141276887) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid
PubChem CID141276887
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid
SMILESCC=CN[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-2-7-11-8(9(12)13)5-3-4-6-10/h2,7-8,11H,3-6,10H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyZALUIVZYXPTUIP-QMMMGPOBSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-[[(E)-but-2-enoyl]amino]hexanoic acid
CID 22838750
(2S)-6-amino-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]hexanoic acid
CID 101210335
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-5-amino-2-(ethenylamino)pentanoic acid
CID 172797723
(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
CID 141398106
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
6-amino-2-(1-aminoethylamino)hexanoic acid
CID 87754048
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid (CID 141276887) is (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid is CC=CN[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid?
The InChIKey is ZALUIVZYXPTUIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-7-11-8(9(12)13)5-3-4-6-10/h2,7-8,11H,3-6,10H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid?
(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(prop-1-enylamino)hexanoic acid is sourced from PubChem (CID 141276887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).