2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid

C15H21NO3 — CID 100636955

IUPAC2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)[C@@H](C)C2CC2)cc1
InChIInChI=1S/C15H21NO3/c1-11(13-5-6-13)16(10-15(17)18)9-12-3-7-14(19-2)8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyJPDPJGIYCXWBQI-NSHDSACASA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds7

About 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid

2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid (PubChem CID 100636955) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
PubChem CID100636955
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)[C@@H](C)C2CC2)cc1
InChIInChI=1S/C15H21NO3/c1-11(13-5-6-13)16(10-15(17)18)9-12-3-7-14(19-2)8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyJPDPJGIYCXWBQI-NSHDSACASA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 78826008
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 78825992
2-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 78825993
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-benzyl-N-(1-cyclopropylethyl)-4-methoxybenzenesulfonamide
CID 4825022
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 51249740
3-[(4-methoxyphenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82328647
2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 46402667
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid (CID 100636955) is 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid is COc1ccc(CN(CC(=O)O)[C@@H](C)C2CC2)cc1.
What is the InChIKey of 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid?
The InChIKey is JPDPJGIYCXWBQI-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(13-5-6-13)16(10-15(17)18)9-12-3-7-14(19-2)8-4-12/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid?
2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclopropylethyl]-[(4-methoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 100636955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).