2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid

C13H17N3O5 — CID 62002684

IUPAC2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
SMILESCOc1cccc(N(C)C(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-16(9-4-3-5-10(6-9)21-2)13(20)15-7-11(17)14-8-12(18)19/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyYAOPJPDAVPRMHR-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.04
Rot. Bonds6

About 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid

2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid (PubChem CID 62002684) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
PubChem CID62002684
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
SMILESCOc1cccc(N(C)C(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-16(9-4-3-5-10(6-9)21-2)13(20)15-7-11(17)14-8-12(18)19/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyYAOPJPDAVPRMHR-UHFFFAOYSA-N
XLogP0.04
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 66165933
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416
(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 80757234
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
2-(2-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylacetamide
CID 80740880
3-(3-methoxy-N-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid (CID 62002684) is 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid is COc1cccc(N(C)C(=O)NCC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
The InChIKey is YAOPJPDAVPRMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-16(9-4-3-5-10(6-9)21-2)13(20)15-7-11(17)14-8-12(18)19/h3-6H,7-8H2,1-2H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid?
2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 62002684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).