2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid

C16H23NO3 — CID 122040142

IUPAC2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(OCC2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-9-17(11-16(18)19)10-13-5-7-15(8-6-13)20-12-14-3-4-14/h5-8,14H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyHPPHIOWRYWABHF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.77
Rot. Bonds9

About 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid

2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid (PubChem CID 122040142) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid
PubChem CID122040142
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(OCC2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-9-17(11-16(18)19)10-13-5-7-15(8-6-13)20-12-14-3-4-14/h5-8,14H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyHPPHIOWRYWABHF-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid
CID 122039917
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[[3-[[4-(cyclopropylmethoxy)phenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042425
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
2-[cyclopropylmethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 43656550
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
N'-[[4-(cyclopropylmethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843624
2-[propyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]acetic acid
CID 122040027

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid?
The IUPAC name of 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid (CID 122040142) is 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid?
The canonical SMILES for 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1ccc(OCC2CC2)cc1.
What is the InChIKey of 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid?
The InChIKey is HPPHIOWRYWABHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-9-17(11-16(18)19)10-13-5-7-15(8-6-13)20-12-14-3-4-14/h5-8,14H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid?
2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid is sourced from PubChem (CID 122040142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).