2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid

C14H17NO5 — CID 122108853

IUPAC2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1(Oc2ccccc2)CC1
InChIInChI=1S/C14H17NO5/c16-12(17)10-19-9-8-15-13(18)14(6-7-14)20-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H,16,17)
InChIKeyMOCMCYOOJDQNDC-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.82
Rot. Bonds8

About 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid

2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid (PubChem CID 122108853) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid
PubChem CID122108853
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1(Oc2ccccc2)CC1
InChIInChI=1S/C14H17NO5/c16-12(17)10-19-9-8-15-13(18)14(6-7-14)20-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H,16,17)
InChIKeyMOCMCYOOJDQNDC-UHFFFAOYSA-N
XLogP0.82
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid
CID 122107026
4-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 122108588
2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
CID 165477386
5-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110206
2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
CID 106826363
2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
CID 79463144
2-[2-(2-anilinoethoxy)ethoxy]acetic acid
CID 101429259
1-(aminomethyl)-N-(2-phenoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119684516
2-[2-[(5-chlorofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468837
2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)ethoxy]acetic acid
CID 79463816
N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate
CID 118515441

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid (CID 122108853) is 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)C1(Oc2ccccc2)CC1.
What is the InChIKey of 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid?
The InChIKey is MOCMCYOOJDQNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-12(17)10-19-9-8-15-13(18)14(6-7-14)20-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H,16,17).
What are the key properties of 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid?
2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 122108853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).