2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid

C15H19NO5 — CID 119213147

IUPAC2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
SMILESO=C(COCCOc1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO5/c17-13(16-14(15(18)19)11-6-7-11)10-20-8-9-21-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2,(H,16,17)(H,18,19)
InChIKeyPXPDNVIBPQFQCW-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.06
Rot. Bonds9

About 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid (PubChem CID 119213147) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
PubChem CID119213147
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
SMILESO=C(COCCOc1ccccc1)NC(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO5/c17-13(16-14(15(18)19)11-6-7-11)10-20-8-9-21-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2,(H,16,17)(H,18,19)
InChIKeyPXPDNVIBPQFQCW-UHFFFAOYSA-N
XLogP1.06
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.06
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

2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
CID 119213473
2-[4-(4-bromophenoxy)butanoylamino]-2-cyclopropylacetic acid
CID 62697266
2-[3-(3-chlorophenoxy)propanoylamino]-2-cyclopropylacetic acid
CID 62696320
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-cyclopropyl-2-[[2-(3,4-dimethylphenoxy)acetyl]amino]acetic acid
CID 62695176
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid
CID 120521179
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
2-cyclopropyl-2-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]acetic acid
CID 119213176
2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 62695518
2-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-2-cyclopropylacetic acid
CID 62697830
2-cyclopropyl-2-[3-(3,5-dimethylphenoxy)propanoylamino]acetic acid
CID 62695722

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid (CID 119213147) is 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid is O=C(COCCOc1ccccc1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid?
The InChIKey is PXPDNVIBPQFQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-13(16-14(15(18)19)11-6-7-11)10-20-8-9-21-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 119213147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).