4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid

C15H20N2O4 — CID 122020828

IUPAC4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)NCC1(CO)CCC1
InChIInChI=1S/C15H20N2O4/c18-10-15(6-1-7-15)9-17-14(21)16-8-11-2-4-12(5-3-11)13(19)20/h2-5,18H,1,6-10H2,(H,19,20)(H2,16,17,21)
InChIKeyUVKWEAXKHBATBZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.35
Rot. Bonds6

About 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid

4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid (PubChem CID 122020828) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
PubChem CID122020828
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
SMILESO=C(NCc1ccc(C(=O)O)cc1)NCC1(CO)CCC1
InChIInChI=1S/C15H20N2O4/c18-10-15(6-1-7-15)9-17-14(21)16-8-11-2-4-12(5-3-11)13(19)20/h2-5,18H,1,6-10H2,(H,19,20)(H2,16,17,21)
InChIKeyUVKWEAXKHBATBZ-UHFFFAOYSA-N
XLogP1.35
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1-cyclopropylcyclobutyl)methylcarbamoylamino]methyl]benzoic acid
CID 122007556
1-[(4-bromophenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618834
4-[[[1-(ethylcarbamoyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
CID 122011714
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid
CID 64686468
4-[[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]methyl]benzoic acid
CID 122032841
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111618470
4-[(3-methylbut-2-enylcarbamoylamino)methyl]benzoic acid
CID 106191193
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
4-[(cyclohexen-1-ylmethylcarbamoylamino)methyl]benzoic acid
CID 122015864
4-[[[3-benzyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020119
4-[[(3-hydroxythiolan-3-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122020349

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid?
The IUPAC name of 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid (CID 122020828) is 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid is O=C(NCc1ccc(C(=O)O)cc1)NCC1(CO)CCC1.
What is the InChIKey of 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid?
The InChIKey is UVKWEAXKHBATBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-10-15(6-1-7-15)9-17-14(21)16-8-11-2-4-12(5-3-11)13(19)20/h2-5,18H,1,6-10H2,(H,19,20)(H2,16,17,21).
What are the key properties of 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid?
4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(hydroxymethyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid is sourced from PubChem (CID 122020828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).