2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid

C15H19NO4 — CID 43655474

IUPAC2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)COCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(11-20-10-13-4-2-1-3-5-13)16(9-15(18)19)8-12-6-7-12/h1-5,12H,6-11H2,(H,18,19)
InChIKeyPMJPMKBIBBIFEE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.53
Rot. Bonds8

About 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid

2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid (PubChem CID 43655474) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
PubChem CID43655474
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)COCc1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(11-20-10-13-4-2-1-3-5-13)16(9-15(18)19)8-12-6-7-12/h1-5,12H,6-11H2,(H,18,19)
InChIKeyPMJPMKBIBBIFEE-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.53
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-[[2-(cyclopropylmethoxy)acetyl]-(2-phenylethyl)amino]acetic acid
CID 119347195
2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
CID 43655608
2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
CID 43655320
2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
CID 43655362
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
2-[cyclopropylmethyl(4-phenylsulfanylbutanoyl)amino]acetic acid
CID 43655413
2-[[5-(phenylmethoxymethyl)oxolan-2-yl]methoxy]-N,N-dipropylacetamide
CID 12888743
2-[benzyl-[2-(2-phenylethoxy)acetyl]amino]acetic acid
CID 119196933
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid (CID 43655474) is 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)COCc1ccccc1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
The InChIKey is PMJPMKBIBBIFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(11-20-10-13-4-2-1-3-5-13)16(9-15(18)19)8-12-6-7-12/h1-5,12H,6-11H2,(H,18,19).
What are the key properties of 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid?
2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid is sourced from PubChem (CID 43655474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).