(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid

C10H20N2O4 — CID 18605801

IUPAC(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid
SMILESCOC(=O)C(C)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(10(15)16-2)12-8(9(13)14)5-3-4-6-11/h7-8,12H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyAQZFGWXFALFCCN-MQWKRIRWSA-N
MW232.28 g/mol
LogP-0.28
Rot. Bonds8

About (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid

(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid (PubChem CID 18605801) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid
PubChem CID18605801
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid
SMILESCOC(=O)C(C)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-7(10(15)16-2)12-8(9(13)14)5-3-4-6-11/h7-8,12H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyAQZFGWXFALFCCN-MQWKRIRWSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid with MolForge

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Related Compounds

6-amino-2-(1-aminoethylamino)hexanoic acid
CID 87754048
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(2S)-6-amino-2-[(1-carboxy-3-oxobutyl)amino]hexanoic acid
CID 175733875
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
methyl (2S)-6-amino-2-methylhexanoate;methyl (2S)-2-methylheptanoate
CID 161175791
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-(prop-1-ynylamino)hexanoic acid
CID 154083989
6-amino-2-[2-(1-carboxy-3-methylbutyl)hydrazinyl]hexanoic acid
CID 174159805
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid (CID 18605801) is (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid is COC(=O)C(C)N[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid?
The InChIKey is AQZFGWXFALFCCN-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-7(10(15)16-2)12-8(9(13)14)5-3-4-6-11/h7-8,12H,3-6,11H2,1-2H3,(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid?
(2S)-6-amino-2-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.28, 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-[(1-methoxy-1-oxopropan-2-yl)amino]hexanoic acid is sourced from PubChem (CID 18605801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).