2-aminopentanoic acid;methyl 2-oxopropanoate

C9H17NO5 — CID 144928347

IUPAC2-aminopentanoic acid;methyl 2-oxopropanoate
SMILESCCCC(N)C(=O)O.COC(=O)C(C)=O
InChIInChI=1S/C5H11NO2.C4H6O3/c1-2-3-4(6)5(7)8;1-3(5)4(6)7-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H3
InChIKeyLHXPSXXWMCRBGA-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.05
Rot. Bonds4

About 2-aminopentanoic acid;methyl 2-oxopropanoate

2-aminopentanoic acid;methyl 2-oxopropanoate (PubChem CID 144928347) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-aminopentanoic acid;methyl 2-oxopropanoate.

Molecular Properties

Compound Name2-aminopentanoic acid;methyl 2-oxopropanoate
PubChem CID144928347
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-aminopentanoic acid;methyl 2-oxopropanoate
SMILESCCCC(N)C(=O)O.COC(=O)C(C)=O
InChIInChI=1S/C5H11NO2.C4H6O3/c1-2-3-4(6)5(7)8;1-3(5)4(6)7-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H3
InChIKeyLHXPSXXWMCRBGA-UHFFFAOYSA-N
XLogP-0.05
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
methyl 2-aminopentanoate
CID 533890
methyl 3-amino-2-ethylidenehexanoate
CID 173027771
2-aminopentanoic acid;pentanoic acid
CID 158644900
2-aminopentanoic acid;(2S)-2,6-diaminohexanoic acid
CID 121439677
(2S)-2-amino-4-ethylsulfanylbutanoic acid;(2S)-2-aminopentanoic acid
CID 122574248
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
CID 87704486
CID 87704486
ethane;methyl 2-oxopropanoate
CID 142946473
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875

Frequently Asked Questions

What is the IUPAC name of 2-aminopentanoic acid;methyl 2-oxopropanoate?
The IUPAC name of 2-aminopentanoic acid;methyl 2-oxopropanoate (CID 144928347) is 2-aminopentanoic acid;methyl 2-oxopropanoate.
What is the SMILES notation for 2-aminopentanoic acid;methyl 2-oxopropanoate?
The canonical SMILES for 2-aminopentanoic acid;methyl 2-oxopropanoate is CCCC(N)C(=O)O.COC(=O)C(C)=O.
What is the InChIKey of 2-aminopentanoic acid;methyl 2-oxopropanoate?
The InChIKey is LHXPSXXWMCRBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H6O3/c1-2-3-4(6)5(7)8;1-3(5)4(6)7-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H3.
What are the key properties of 2-aminopentanoic acid;methyl 2-oxopropanoate?
2-aminopentanoic acid;methyl 2-oxopropanoate has a molecular weight of 219.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanoic acid;methyl 2-oxopropanoate is sourced from PubChem (CID 144928347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).