(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride

C7H14ClNO4 — CID 122173679

IUPAC(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
SMILESCN[C@@H](CCC(=O)OC)C(=O)O.Cl
InChIInChI=1S/C7H13NO4.ClH/c1-8-5(7(10)11)3-4-6(9)12-2;/h5,8H,3-4H2,1-2H3,(H,10,11);1H/t5-;/m0./s1
InChIKeyIXVRGLRZRIRJET-JEDNCBNOSA-N
MW211.64 g/mol
LogP0.03
Rot. Bonds5

About (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride

(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride (PubChem CID 122173679) has the molecular formula C7H14ClNO4 and a molecular weight of 211.64 g/mol. Its IUPAC name is (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
PubChem CID122173679
Molecular FormulaC7H14ClNO4
Molecular Weight211.64 g/mol
Exact Mass211.06
IUPAC Name(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
SMILESCN[C@@H](CCC(=O)OC)C(=O)O.Cl
InChIInChI=1S/C7H13NO4.ClH/c1-8-5(7(10)11)3-4-6(9)12-2;/h5,8H,3-4H2,1-2H3,(H,10,11);1H/t5-;/m0./s1
InChIKeyIXVRGLRZRIRJET-JEDNCBNOSA-N
XLogP0.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.64
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
2-(methylamino)-5-sulfanylidenehexanoic acid
CID 58234757
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
methyl 4-(methylamino)-5-oxo-5-(2-oxopropylamino)pentanoate
CID 154660465
(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
2-[(3-methoxy-3-oxopropyl)amino]pentanedioic acid
CID 123728829
5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid
CID 153357969
(2R)-2-(methylamino)pentanoic acid
CID 15677248
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
(2R)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826825
(2R)-5-methoxy-2-(4-methylpentylcarbamoylamino)-5-oxopentanoic acid
CID 107827677
(2S)-5-methoxy-2-[3-(methylamino)propylcarbamoylamino]-5-oxopentanoic acid
CID 107826533

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride?
The IUPAC name of (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride (CID 122173679) is (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride?
The canonical SMILES for (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride is CN[C@@H](CCC(=O)OC)C(=O)O.Cl.
What is the InChIKey of (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride?
The InChIKey is IXVRGLRZRIRJET-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H13NO4.ClH/c1-8-5(7(10)11)3-4-6(9)12-2;/h5,8H,3-4H2,1-2H3,(H,10,11);1H/t5-;/m0./s1.
What are the key properties of (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride?
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride has a molecular weight of 211.64 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride is sourced from PubChem (CID 122173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).