(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid

C9H18N2O3 — CID 87407162

IUPAC(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
SMILESCN[C@@H](CCCC(N)C(C)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(12)7(10)4-3-5-8(11-2)9(13)14/h7-8,11H,3-5,10H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyYVAFMKZNSXAHST-MQWKRIRWSA-N
MW202.25 g/mol
LogP-0.25
Rot. Bonds7

About (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid

(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid (PubChem CID 87407162) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
PubChem CID87407162
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid
SMILESCN[C@@H](CCCC(N)C(C)=O)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(12)7(10)4-3-5-8(11-2)9(13)14/h7-8,11H,3-5,10H2,1-2H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyYVAFMKZNSXAHST-MQWKRIRWSA-N
XLogP-0.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
(2S)-6-amino-2-(methylamino)-6-oxohexanoic acid
CID 177277672
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
5-(diaminomethylamino)-2-(methylamino)pentanoic acid
CID 134576168
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
3-[(2-amino-3-oxobutyl)disulfanyl]-2-(methylamino)propanoic acid
CID 58914401
5-amino-2-(methylamino)hexanoic acid
CID 139342913
2,6-diaminoheptanedioic acid
CID 865
5-amino-5-fluoro-2-(methylamino)pentanoic acid
CID 87457639
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
5-(aminomethylideneamino)-2-(methylamino)pentanoic acid
CID 178031591

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid?
The IUPAC name of (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid (CID 87407162) is (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid?
The canonical SMILES for (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid is CN[C@@H](CCCC(N)C(C)=O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid?
The InChIKey is YVAFMKZNSXAHST-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(12)7(10)4-3-5-8(11-2)9(13)14/h7-8,11H,3-5,10H2,1-2H3,(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid?
(2S)-6-amino-2-(methylamino)-7-oxooctanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(methylamino)-7-oxooctanoic acid is sourced from PubChem (CID 87407162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).