4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid

C14H18N2O4 — CID 62854589

IUPAC4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCN(CC1CCC1)C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O4/c1-16(8-9-3-2-4-9)14(20)15-10-5-6-11(13(18)19)12(17)7-10/h5-7,9,17H,2-4,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyJMHQSDIFLNRDQR-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.35
Rot. Bonds4

About 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid

4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid (PubChem CID 62854589) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
PubChem CID62854589
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
SMILESCN(CC1CCC1)C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O4/c1-16(8-9-3-2-4-9)14(20)15-10-5-6-11(13(18)19)12(17)7-10/h5-7,9,17H,2-4,8H2,1H3,(H,15,20)(H,18,19)
InChIKeyJMHQSDIFLNRDQR-UHFFFAOYSA-N
XLogP2.35
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 107400253
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63112008
4-bromo-2-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63655148
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740
2-hydroxy-4-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62997586
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
3-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenyl]prop-2-enoic acid
CID 76950847
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 63772383
2-chloro-5-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400209

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid (CID 62854589) is 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid is CN(CC1CCC1)C(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid?
The InChIKey is JMHQSDIFLNRDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(8-9-3-2-4-9)14(20)15-10-5-6-11(13(18)19)12(17)7-10/h5-7,9,17H,2-4,8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid?
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 62854589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).