(2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid

C10H18N2O4 — CID 87574809

IUPAC(2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid
SMILESC=C(C)C(=O)ON[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(2)10(15)16-12-8(9(13)14)5-3-4-6-11/h8,12H,1,3-6,11H2,2H3,(H,13,14)/t8-/m0/s1
InChIKeyFYFVJSIQYUFETK-QMMMGPOBSA-N
MW230.26 g/mol
LogP0.19
Rot. Bonds8

About (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid

(2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid (PubChem CID 87574809) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid
PubChem CID87574809
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid
SMILESC=C(C)C(=O)ON[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-7(2)10(15)16-12-8(9(13)14)5-3-4-6-11/h8,12H,1,3-6,11H2,2H3,(H,13,14)/t8-/m0/s1
InChIKeyFYFVJSIQYUFETK-QMMMGPOBSA-N
XLogP0.19
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-5-diethylsilyloxy-2-(2-methylprop-2-enoyloxyamino)-5-oxopentanoic acid
CID 173164828
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
6-amino-2-(2-oxopropanoylamino)hexanoic acid
CID 87246065
(2S)-6-amino-2-[[(E)-but-2-enoyl]amino]hexanoic acid
CID 22838750
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
CID 141398106
(2S)-6-amino-2-(prop-1-enylamino)hexanoic acid
CID 141276887
(2S)-6-amino-2-[(1-carboxy-3-oxobutyl)amino]hexanoic acid
CID 175733875

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid (CID 87574809) is (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid is C=C(C)C(=O)ON[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid?
The InChIKey is FYFVJSIQYUFETK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(2)10(15)16-12-8(9(13)14)5-3-4-6-11/h8,12H,1,3-6,11H2,2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid?
(2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.19, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(2-methylprop-2-enoyloxyamino)hexanoic acid is sourced from PubChem (CID 87574809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).