2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid

C14H18N2O5 — CID 62919115

IUPAC2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(C(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9(2)21-11-5-3-4-10(6-11)14(20)16-7-12(17)15-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyGGPNZHBUNRRHGQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.40
Rot. Bonds7

About 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 62919115) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
PubChem CID62919115
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(C(=O)NCC(=O)NCC(=O)O)c1
InChIInChI=1S/C14H18N2O5/c1-9(2)21-11-5-3-4-10(6-11)14(20)16-7-12(17)15-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyGGPNZHBUNRRHGQ-UHFFFAOYSA-N
XLogP0.40
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(3-propoxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919842
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
N-(4-chloropentyl)-3-propan-2-yloxybenzamide
CID 106130049
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid (CID 62919115) is 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid is CC(C)Oc1cccc(C(=O)NCC(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is GGPNZHBUNRRHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(2)21-11-5-3-4-10(6-11)14(20)16-7-12(17)15-8-13(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 62919115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).