2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid

C14H20N2O4 — CID 81318509

IUPAC2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
SMILESCC(O)CN(C)C(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(17)9-16(2)14(20)15-8-12-6-4-3-5-11(12)7-13(18)19/h3-6,10,17H,7-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKJQMQLCINDUADU-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.84
Rot. Bonds6

About 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid

2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid (PubChem CID 81318509) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
PubChem CID81318509
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
SMILESCC(O)CN(C)C(=O)NCc1ccccc1CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(17)9-16(2)14(20)15-8-12-6-4-3-5-11(12)7-13(18)19/h3-6,10,17H,7-9H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKJQMQLCINDUADU-UHFFFAOYSA-N
XLogP0.84
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[[2-cyanopropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81311145
2-[2-[[[ethyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81317762
3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 64694951
2-[2-[(2-aminopropanoylamino)methyl]phenyl]acetic acid
CID 81318490
2-[2-[[[2-[acetyl(methyl)amino]acetyl]amino]methyl]phenyl]acetic acid
CID 81318110
2-[2-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]acetic acid
CID 81318494
2-[(2-bromophenyl)methylcarbamoyl-methylamino]acetic acid
CID 61414155
2-[2-[(2-methylbutylcarbamoylamino)methyl]phenyl]acetic acid
CID 81317582
2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 80740739
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520
3-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003490
3-[1-benzofuran-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122002286

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid (CID 81318509) is 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid is CC(O)CN(C)C(=O)NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid?
The InChIKey is KJQMQLCINDUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(17)9-16(2)14(20)15-8-12-6-4-3-5-11(12)7-13(18)19/h3-6,10,17H,7-9H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid?
2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81318509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).