4-(2-carboxyethylamino)-4-oxobutanoic acid

C7H11NO5 — CID 11194800

IUPAC4-(2-carboxyethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCNC(=O)CCC(=O)O
InChIInChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyNFQWOKKYYQQDCQ-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.56
Rot. Bonds6

About 4-(2-carboxyethylamino)-4-oxobutanoic acid

4-(2-carboxyethylamino)-4-oxobutanoic acid (PubChem CID 11194800) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(2-carboxyethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-carboxyethylamino)-4-oxobutanoic acid
PubChem CID11194800
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name4-(2-carboxyethylamino)-4-oxobutanoic acid
SMILESO=C(O)CCNC(=O)CCC(=O)O
InChIInChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyNFQWOKKYYQQDCQ-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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Related Compounds

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CID 18189
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CID 2572
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5-Oxopyrrolidine-3-carboxylic acid
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(S)-5-oxopyrrolidine-3-carboxylic acid
CID 25100087
(3R)-5-oxopyrrolidine-3-carboxylic acid
CID 28063204
4,4'-(Ethylenediimino)bis(4-oxobutyric) acid
CID 90288
3-(propylcarbamoyl)propanoic Acid
CID 4034758
4-[(2-Hydroxyethyl)amino]-4-oxobutanoic acid
CID 20248474
4-(Isopropylamino)-4-oxobutanoic acid
CID 245007
Succinylglycine
CID 14954082
N-Succinyl aspartic acid
CID 22960336

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxyethylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-carboxyethylamino)-4-oxobutanoic acid (CID 11194800) is 4-(2-carboxyethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-carboxyethylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-carboxyethylamino)-4-oxobutanoic acid is O=C(O)CCNC(=O)CCC(=O)O.
What is the InChIKey of 4-(2-carboxyethylamino)-4-oxobutanoic acid?
The InChIKey is NFQWOKKYYQQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 4-(2-carboxyethylamino)-4-oxobutanoic acid?
4-(2-carboxyethylamino)-4-oxobutanoic 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 4-(2-carboxyethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 11194800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).