2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid

C16H23NO3 — CID 65061806

IUPAC2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid
SMILESCCCOc1ccc(C(C)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-3-10-20-14-8-6-12(7-9-14)11(2)17-15(16(18)19)13-4-5-13/h6-9,11,13,15,17H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyYWHDXLAJCHAEBT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.99
Rot. Bonds8

About 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid

2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid (PubChem CID 65061806) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid
PubChem CID65061806
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid
SMILESCCCOc1ccc(C(C)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-3-10-20-14-8-6-12(7-9-14)11(2)17-15(16(18)19)13-4-5-13/h6-9,11,13,15,17H,3-5,10H2,1-2H3,(H,18,19)
InChIKeyYWHDXLAJCHAEBT-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
CID 103258836
2-[(4-butoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 62695518
N-[1-(4-propoxyphenyl)ethyl]hexan-2-amine
CID 63476745
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
(2S)-2-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 104980899
2-chloro-2-(4-propoxyphenyl)acetic acid
CID 82288302
N-[1-(4-propoxyphenyl)ethyl]thiolan-3-amine
CID 103779629
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
4-[[1-(4-propoxyphenyl)ethylamino]methyl]benzoic acid
CID 122030771
ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
CID 144819636
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid (CID 65061806) is 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid is CCCOc1ccc(C(C)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid?
The InChIKey is YWHDXLAJCHAEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-10-20-14-8-6-12(7-9-14)11(2)17-15(16(18)19)13-4-5-13/h6-9,11,13,15,17H,3-5,10H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid?
2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(4-propoxyphenyl)ethylamino]acetic acid is sourced from PubChem (CID 65061806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).