5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid

C9H18N2O5 — CID 153357969

IUPAC5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid
SMILESCNC(CCC(=O)NC(CO)CO)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-10-7(9(15)16)2-3-8(14)11-6(4-12)5-13/h6-7,10,12-13H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyHVMNPDWOXLHZCG-UHFFFAOYSA-N
MW234.25 g/mol
LogP-2.09
Rot. Bonds8

About 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid

5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid (PubChem CID 153357969) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid
PubChem CID153357969
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid
SMILESCNC(CCC(=O)NC(CO)CO)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-10-7(9(15)16)2-3-8(14)11-6(4-12)5-13/h6-7,10,12-13H,2-5H2,1H3,(H,11,14)(H,15,16)
InChIKeyHVMNPDWOXLHZCG-UHFFFAOYSA-N
XLogP-2.09
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-2.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-carboxy-4-[[4-carboxy-4-(methylamino)butanoyl]amino]butanoyl]amino]-5-oxooctanoic acid
CID 176567888
(2S)-5-methoxy-2-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 122173679
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
2-(methylamino)-5-sulfanylidenehexanoic acid
CID 58234757
2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid
CID 143106959
(2S)-5-[[1-carboxy-4-(methylamino)-4-oxobutyl]amino]-5-oxo-2-(propanoylamino)pentanoic acid
CID 90455527
6-methyl-2-(methylamino)heptanoic acid
CID 91290146
(2S)-2-(methylamino)-5-oxo-5-(pentylamino)pentanoic acid
CID 90209237
(2R)-2-(methylamino)pentanoic acid
CID 15677248
5-amino-2-(methylamino)hexanoic acid
CID 139342913
5-(hexylamino)-2-(methylamino)-5-oxopentanoic acid
CID 168992251
N-(1,3-dihydroxypropan-2-yl)propanamide
CID 20616556

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid (CID 153357969) is 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid is CNC(CCC(=O)NC(CO)CO)C(=O)O.
What is the InChIKey of 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid?
The InChIKey is HVMNPDWOXLHZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-10-7(9(15)16)2-3-8(14)11-6(4-12)5-13/h6-7,10,12-13H,2-5H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid?
5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid has a molecular weight of 234.25 g/mol, XLogP of -2.09, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dihydroxypropan-2-ylamino)-2-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 153357969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).