3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid

C14H18N2O5 — CID 81197872

IUPAC3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)N1CCOC(CO)C1
InChIInChI=1S/C14H18N2O5/c1-9-2-3-10(13(18)19)6-12(9)15-14(20)16-4-5-21-11(7-16)8-17/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyVXJBHNCVODIEJR-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.92
Rot. Bonds3

About 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid

3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid (PubChem CID 81197872) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
PubChem CID81197872
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)N1CCOC(CO)C1
InChIInChI=1S/C14H18N2O5/c1-9-2-3-10(13(18)19)6-12(9)15-14(20)16-4-5-21-11(7-16)8-17/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyVXJBHNCVODIEJR-UHFFFAOYSA-N
XLogP0.92
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic 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

3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
N-(2-fluorophenyl)-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79831251
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614
2-[(2-ethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61203216
4-fluoro-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]benzoic acid
CID 62966579
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 94161618
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 63219197

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid (CID 81197872) is 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)N1CCOC(CO)C1.
What is the InChIKey of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid?
The InChIKey is VXJBHNCVODIEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9-2-3-10(13(18)19)6-12(9)15-14(20)16-4-5-21-11(7-16)8-17/h2-3,6,11,17H,4-5,7-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid?
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 81197872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).