2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid

C13H17N3O5 — CID 62871905

IUPAC2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
SMILESCOc1ccc(NC(=O)NCC(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C13H17N3O5/c1-8-5-9(21-2)3-4-10(8)16-13(20)15-6-11(17)14-7-12(18)19/h3-5H,6-7H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyNVSCPSHASIFADT-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.33
Rot. Bonds6

About 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid

2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid (PubChem CID 62871905) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
PubChem CID62871905
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid
SMILESCOc1ccc(NC(=O)NCC(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C13H17N3O5/c1-8-5-9(21-2)3-4-10(8)16-13(20)15-6-11(17)14-7-12(18)19/h3-5H,6-7H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyNVSCPSHASIFADT-UHFFFAOYSA-N
XLogP0.33
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
2-[2-[(4-methoxy-2-methylphenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 62871537
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
2-[(4,5-dimethoxy-2-methylphenyl)carbamoylamino]acetic acid
CID 82501882
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
2-(2-hydroxyphenyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 78919759
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
CID 111431598
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703
1-[(1-hydroxycycloheptyl)methyl]-3-(4-methoxy-2-methylphenyl)urea
CID 111431601

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid (CID 62871905) is 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid is COc1ccc(NC(=O)NCC(=O)NCC(=O)O)c(C)c1.
What is the InChIKey of 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid?
The InChIKey is NVSCPSHASIFADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-5-9(21-2)3-4-10(8)16-13(20)15-6-11(17)14-7-12(18)19/h3-5H,6-7H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid?
2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxy-2-methylphenyl)carbamoylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 62871905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).