2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid

C16H21NO4 — CID 119347195

IUPAC2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)COCC1CC1
InChIInChI=1S/C16H21NO4/c18-15(12-21-11-14-6-7-14)17(10-16(19)20)9-8-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20)
InChIKeyGQDDAVFRFCCANP-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.57
Rot. Bonds9

About 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid

2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 119347195) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
PubChem CID119347195
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)COCC1CC1
InChIInChI=1S/C16H21NO4/c18-15(12-21-11-14-6-7-14)17(10-16(19)20)9-8-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20)
InChIKeyGQDDAVFRFCCANP-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-phenylethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 119347329
2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 43655474
2-[[2-(oxan-4-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347295
2-[cyclobutanecarbonyl(2-phenylethyl)amino]acetic acid
CID 119347597
2-[2-phenylethyl(3-phenylmethoxypropanoyl)amino]acetic acid
CID 119347399
2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
CID 119196933
2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 119347606
2-[2-phenylethyl(4-pyridin-4-ylbutanoyl)amino]acetic acid
CID 20689270
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
2-[[2-(1,4-dithian-2-yl)acetyl]-(2-phenylethyl)amino]acetic acid
CID 120540538
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
3-[2-(cyclopropylmethoxy)ethoxy]propylbenzene
CID 54112131

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid (CID 119347195) is 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)COCC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is GQDDAVFRFCCANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(12-21-11-14-6-7-14)17(10-16(19)20)9-8-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20).
What are the key properties of 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).