5-(carboxymethylamino)-5-oxopentanoic acid

C7H11NO5 — CID 23592950

IUPAC5-(carboxymethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC(=O)O
InChIInChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyNBLKTRLPZFCMJG-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.56
Rot. Bonds6

About 5-(carboxymethylamino)-5-oxopentanoic acid

5-(carboxymethylamino)-5-oxopentanoic acid (PubChem CID 23592950) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-(carboxymethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(carboxymethylamino)-5-oxopentanoic acid
PubChem CID23592950
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name5-(carboxymethylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCC(=O)O
InChIInChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyNBLKTRLPZFCMJG-UHFFFAOYSA-N
XLogP-0.56
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(carboxymethylamino)-5-oxopentanoic acid (CID 23592950) is 5-(carboxymethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(carboxymethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(carboxymethylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCC(=O)O.
What is the InChIKey of 5-(carboxymethylamino)-5-oxopentanoic acid?
The InChIKey is NBLKTRLPZFCMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 5-(carboxymethylamino)-5-oxopentanoic acid?
5-(carboxymethylamino)-5-oxopentanoic acid has a molecular weight of 189.17 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 23592950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).