3-(cyclopropylmethylamino)-2-phenylpropanoic acid

C13H17NO2 — CID 64565407

IUPAC3-(cyclopropylmethylamino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNCC1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12(9-14-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12,14H,6-9H2,(H,15,16)
InChIKeyCHWURWDFHFIUSR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.85
Rot. Bonds6

About 3-(cyclopropylmethylamino)-2-phenylpropanoic acid

3-(cyclopropylmethylamino)-2-phenylpropanoic acid (PubChem CID 64565407) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-2-phenylpropanoic acid
PubChem CID64565407
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(cyclopropylmethylamino)-2-phenylpropanoic acid
SMILESO=C(O)C(CNCC1CC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12(9-14-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12,14H,6-9H2,(H,15,16)
InChIKeyCHWURWDFHFIUSR-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropanoic acid
CID 64560568
3-[(1,1-dioxothiolan-3-yl)methylamino]-2-phenylpropanoic acid
CID 64567525
3-[(2-hydroxycyclohexyl)methylamino]-2-phenylpropanoic acid
CID 64912195
3-[(1,1-dioxothiolan-2-yl)methylamino]-2-phenylpropanoic acid
CID 81039158
2-phenyl-3-(thian-2-ylmethylamino)propanoic acid
CID 80600296
N-(cyclobutylmethyl)-2,2-diphenylethanamine
CID 107292720
N-(cyclopentylmethyl)-2,2-diphenylethanamine
CID 107292721
2-phenyl-3-(2-phenylethylamino)propanoic acid
CID 64564787
3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
CID 106305496
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-phenylpropanoic acid
CID 106174790

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-(cyclopropylmethylamino)-2-phenylpropanoic acid (CID 64565407) is 3-(cyclopropylmethylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(cyclopropylmethylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(cyclopropylmethylamino)-2-phenylpropanoic acid is O=C(O)C(CNCC1CC1)c1ccccc1.
What is the InChIKey of 3-(cyclopropylmethylamino)-2-phenylpropanoic acid?
The InChIKey is CHWURWDFHFIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12(9-14-8-10-6-7-10)11-4-2-1-3-5-11/h1-5,10,12,14H,6-9H2,(H,15,16).
What are the key properties of 3-(cyclopropylmethylamino)-2-phenylpropanoic acid?
3-(cyclopropylmethylamino)-2-phenylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 64565407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).