(2S)-2-amino-6-(methylamino)hexanoic acid;ethane

C9H22N2O2 — CID 144761266

IUPAC(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
SMILESCC.CNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H16N2O2.C2H6/c1-9-5-3-2-4-6(8)7(10)11;1-2/h6,9H,2-5,8H2,1H3,(H,10,11);1-2H3/t6-;/m0./s1
InChIKeyFBAWVRPTCGKFFS-RGMNGODLSA-N
MW190.29 g/mol
LogP0.81
Rot. Bonds6

About (2S)-2-amino-6-(methylamino)hexanoic acid;ethane

(2S)-2-amino-6-(methylamino)hexanoic acid;ethane (PubChem CID 144761266) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-2-amino-6-(methylamino)hexanoic acid;ethane.

Molecular Properties

Compound Name(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
PubChem CID144761266
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
SMILESCC.CNCCCC[C@H](N)C(=O)O
InChIInChI=1S/C7H16N2O2.C2H6/c1-9-5-3-2-4-6(8)7(10)11;1-2/h6,9H,2-5,8H2,1H3,(H,10,11);1-2H3/t6-;/m0./s1
InChIKeyFBAWVRPTCGKFFS-RGMNGODLSA-N
XLogP0.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 50.81
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)-2-amino-6-(methylamino)hexanoic acid;isocyanic acid
CID 118377535
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-6-(phosphanylamino)hexanoic acid
CID 58918471
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
2-amino-21-methyldocosanoic acid
CID 10926747
(2S)-6-[acetyl-[2-(methylamino)ethyl]amino]-2-aminohexanoic acid
CID 135218862
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
2-amino-6-(3-methylbutylamino)hexanoic acid
CID 90718970
2,6-diaminoheptanedioic acid
CID 865
3-amino-7-(methylamino)heptanoic acid
CID 20510151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-(methylamino)hexanoic acid;ethane?
The IUPAC name of (2S)-2-amino-6-(methylamino)hexanoic acid;ethane (CID 144761266) is (2S)-2-amino-6-(methylamino)hexanoic acid;ethane.
What is the SMILES notation for (2S)-2-amino-6-(methylamino)hexanoic acid;ethane?
The canonical SMILES for (2S)-2-amino-6-(methylamino)hexanoic acid;ethane is CC.CNCCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-6-(methylamino)hexanoic acid;ethane?
The InChIKey is FBAWVRPTCGKFFS-RGMNGODLSA-N. The full InChI is InChI=1S/C7H16N2O2.C2H6/c1-9-5-3-2-4-6(8)7(10)11;1-2/h6,9H,2-5,8H2,1H3,(H,10,11);1-2H3/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-6-(methylamino)hexanoic acid;ethane?
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane has a molecular weight of 190.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-(methylamino)hexanoic acid;ethane is sourced from PubChem (CID 144761266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).