4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid

C9H16N2O5 — CID 43153371

IUPAC4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
SMILESCOCCCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-16-6-2-5-10-9(15)11-7(12)3-4-8(13)14/h2-6H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyWEBKSBUWNFDCEI-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.29
Rot. Bonds7

About 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid

4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 43153371) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
PubChem CID43153371
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid
SMILESCOCCCNC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-16-6-2-5-10-9(15)11-7(12)3-4-8(13)14/h2-6H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyWEBKSBUWNFDCEI-UHFFFAOYSA-N
XLogP-0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
4-oxo-4-(2-propan-2-yloxyethylcarbamoylamino)butanoic acid
CID 104762323
4-oxo-4-(pent-4-ynylcarbamoylamino)butanoic acid
CID 106222414
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
3-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237259
6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 60951961
6-(3-methoxypropylcarbamothioylamino)hexanoic acid
CID 4174298
3-[2-(3-methoxypropylamino)-2-oxoethyl]sulfinylpropanoic acid
CID 61486758
5-(3-methoxypropylamino)pentanoic acid
CID 103237135
4-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-4-oxobutanoic acid
CID 28745891
4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
CID 61166887

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid (CID 43153371) is 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid is COCCCNC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is WEBKSBUWNFDCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-16-6-2-5-10-9(15)11-7(12)3-4-8(13)14/h2-6H2,1H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid?
4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 43153371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).