5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid

C8H13NO6 — CID 175776625

IUPAC5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(O)CC(=O)O
InChIInChI=1S/C8H13NO6/c1-5(3-7(11)12)2-6(10)9(15)4-8(13)14/h5,15H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyUBKRPQHFSWFAFQ-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.21
Rot. Bonds6

About 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid

5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 175776625) has the molecular formula C8H13NO6 and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid
PubChem CID175776625
Molecular FormulaC8H13NO6
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N(O)CC(=O)O
InChIInChI=1S/C8H13NO6/c1-5(3-7(11)12)2-6(10)9(15)4-8(13)14/h5,15H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyUBKRPQHFSWFAFQ-UHFFFAOYSA-N
XLogP-0.21
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

strontium;hydride;3-methylpentanedioic acid
CID 173490798
5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62956088
5-[butan-2-yl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965888
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
3-methylbutanoic acid
CID 20849036
3-methyl-5-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 113408932
5-[(2-methoxy-2-oxoethyl)-propylamino]-3-methyl-5-oxopentanoic acid
CID 62964741
2-methylpentanedioic acid;3-methylpentanedioic acid
CID 159942344
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469

Frequently Asked Questions

What is the IUPAC name of 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid (CID 175776625) is 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N(O)CC(=O)O.
What is the InChIKey of 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is UBKRPQHFSWFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO6/c1-5(3-7(11)12)2-6(10)9(15)4-8(13)14/h5,15H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid?
5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 219.19 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[carboxymethyl(hydroxy)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 175776625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).