5-amino-4-oxopentanoic acid;2-hydroxyacetic acid

C7H13NO6 — CID 50943305

IUPAC5-amino-4-oxopentanoic acid;2-hydroxyacetic acid
SMILESNCC(=O)CCC(=O)O.O=C(O)CO
InChIInChI=1S/C5H9NO3.C2H4O3/c6-3-4(7)1-2-5(8)9;3-1-2(4)5/h1-3,6H2,(H,8,9);3H,1H2,(H,4,5)
InChIKeyPQBLJKSZDRPSHR-UHFFFAOYSA-N
MW207.18 g/mol
LogP-1.56
Rot. Bonds5

About 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid

5-amino-4-oxopentanoic acid;2-hydroxyacetic acid (PubChem CID 50943305) has the molecular formula C7H13NO6 and a molecular weight of 207.18 g/mol. Its IUPAC name is 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid.

Molecular Properties

Compound Name5-amino-4-oxopentanoic acid;2-hydroxyacetic acid
PubChem CID50943305
Molecular FormulaC7H13NO6
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name5-amino-4-oxopentanoic acid;2-hydroxyacetic acid
SMILESNCC(=O)CCC(=O)O.O=C(O)CO
InChIInChI=1S/C5H9NO3.C2H4O3/c6-3-4(7)1-2-5(8)9;3-1-2(4)5/h1-3,6H2,(H,8,9);3H,1H2,(H,4,5)
InChIKeyPQBLJKSZDRPSHR-UHFFFAOYSA-N
XLogP-1.56
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(15N)azanyl-4-oxopentanoic acid
CID 11018904
8-amino-4,7-dioxooctanoic acid
CID 161356163
5-amino-4-oxopentanoic acid;2,2,2-trichloroacetic acid
CID 130277300
5-amino-4-oxopentanoic acid;pentanoic acid
CID 50943307
1-amino-4-hydroxybutan-2-one
CID 13368156
bis(5-amino-4-oxopentanoic acid);2,2-dichloroacetic acid;2,2,2-trichloroacetic acid
CID 161301964
1-amino-3-hydroxypropan-2-one
CID 10909488
bis(butanedioic acid);hydroxylamine
CID 174855273
1-amino-5-hydroxypentan-2-one;molecular hydrogen
CID 158297094
5-(5-amino-4-oxopentanoyl)oxypentanoic acid
CID 73050911
bis(butanedioic acid);ethane-1,2-diamine;zinc
CID 173009719
CID 173009716
CID 173009716

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid?
The IUPAC name of 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid (CID 50943305) is 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid.
What is the SMILES notation for 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid?
The canonical SMILES for 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid is NCC(=O)CCC(=O)O.O=C(O)CO.
What is the InChIKey of 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid?
The InChIKey is PQBLJKSZDRPSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.C2H4O3/c6-3-4(7)1-2-5(8)9;3-1-2(4)5/h1-3,6H2,(H,8,9);3H,1H2,(H,4,5).
What are the key properties of 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid?
5-amino-4-oxopentanoic acid;2-hydroxyacetic acid has a molecular weight of 207.18 g/mol, XLogP of -1.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-oxopentanoic acid;2-hydroxyacetic acid is sourced from PubChem (CID 50943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).