(2S)-2-(methylamino)-4-oxopentanal

C6H11NO2 — CID 59947269

IUPAC(2S)-2-(methylamino)-4-oxopentanal
SMILESCN[C@H](C=O)CC(C)=O
InChIInChI=1S/C6H11NO2/c1-5(9)3-6(4-8)7-2/h4,6-7H,3H2,1-2H3/t6-/m0/s1
InChIKeyPVMGAMPVLVWWKE-LURJTMIESA-N
MW129.16 g/mol
LogP-0.25
Rot. Bonds4

About (2S)-2-(methylamino)-4-oxopentanal

(2S)-2-(methylamino)-4-oxopentanal (PubChem CID 59947269) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-2-(methylamino)-4-oxopentanal.

Molecular Properties

Compound Name(2S)-2-(methylamino)-4-oxopentanal
PubChem CID59947269
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(2S)-2-(methylamino)-4-oxopentanal
SMILESCN[C@H](C=O)CC(C)=O
InChIInChI=1S/C6H11NO2/c1-5(9)3-6(4-8)7-2/h4,6-7H,3H2,1-2H3/t6-/m0/s1
InChIKeyPVMGAMPVLVWWKE-LURJTMIESA-N
XLogP-0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(methylamino)-4-oxobutanamide
CID 155015110
ethane;(3S)-3-(methylamino)-4-oxobutanamide;methylcyclobutane
CID 160748270
2-acetyl-4-oxopentanal
CID 87449777
2-(methylamino)-4-methyliminopentanal;3-(methylamino)-4-methyliminopentanal
CID 161164097
(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
CID 88866235
CID 88866235
N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338
[4-(methylamino)-5-oxopentyl]urea
CID 123241233
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
ethane;1-(methylamino)propan-2-one;2-methylpropanal
CID 170710537
3-ethoxy-2-(methylamino)propanal
CID 162184376
2-(3-oxobutanoyl)propanedial
CID 57284293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-4-oxopentanal?
The IUPAC name of (2S)-2-(methylamino)-4-oxopentanal (CID 59947269) is (2S)-2-(methylamino)-4-oxopentanal.
What is the SMILES notation for (2S)-2-(methylamino)-4-oxopentanal?
The canonical SMILES for (2S)-2-(methylamino)-4-oxopentanal is CN[C@H](C=O)CC(C)=O.
What is the InChIKey of (2S)-2-(methylamino)-4-oxopentanal?
The InChIKey is PVMGAMPVLVWWKE-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(9)3-6(4-8)7-2/h4,6-7H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-4-oxopentanal?
(2S)-2-(methylamino)-4-oxopentanal has a molecular weight of 129.16 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-4-oxopentanal is sourced from PubChem (CID 59947269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).