4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid

C9H16N2O5 — CID 61300129

IUPAC4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
SMILESCOC(=O)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-16-8(14)4-6-11-9(15)10-5-2-3-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,15)
InChIKeyFGVRKONQAPNWOG-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.29
Rot. Bonds7

About 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid

4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid (PubChem CID 61300129) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
PubChem CID61300129
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
SMILESCOC(=O)CCNC(=O)NCCCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-16-8(14)4-6-11-9(15)10-5-2-3-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,15)
InChIKeyFGVRKONQAPNWOG-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

4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
4-(2-acetamidoethylcarbamoylamino)butanoic acid
CID 61201692
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
4-(prop-2-ynylcarbamoylamino)butanoic acid
CID 61192126
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
4-[2-[1-(methoxymethyl)cyclobutyl]ethylcarbamoylamino]butanoic acid
CID 122015399
methyl 3-(prop-2-enylcarbamoylamino)propanoate
CID 60706179
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]butanoic acid
CID 65048026

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid (CID 61300129) is 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid is COC(=O)CCNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid?
The InChIKey is FGVRKONQAPNWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-16-8(14)4-6-11-9(15)10-5-2-3-7(12)13/h2-6H2,1H3,(H,12,13)(H2,10,11,15).
What are the key properties of 4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid?
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic 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-methoxy-3-oxopropyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61300129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).