3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid

C19H27NO4 — CID 119209944

IUPAC3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid
SMILESCC(C)(C)c1ccc(C(CC(=O)O)NC(=O)COCC2CC2)cc1
InChIInChI=1S/C19H27NO4/c1-19(2,3)15-8-6-14(7-9-15)16(10-18(22)23)20-17(21)12-24-11-13-4-5-13/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWFZMIPWWBPOLBU-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.04
Rot. Bonds8

About 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid

3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid (PubChem CID 119209944) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid
PubChem CID119209944
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid
SMILESCC(C)(C)c1ccc(C(CC(=O)O)NC(=O)COCC2CC2)cc1
InChIInChI=1S/C19H27NO4/c1-19(2,3)15-8-6-14(7-9-15)16(10-18(22)23)20-17(21)12-24-11-13-4-5-13/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyWFZMIPWWBPOLBU-UHFFFAOYSA-N
XLogP3.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propanoic acid
CID 7044999
3-(4-tert-butylphenyl)-3-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119210010
3-(4-tert-butylphenyl)-3-(5-methoxypentanoylamino)propanoic acid
CID 119209901
2-(cyclopropylmethoxy)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 95573632
3-(4-tert-butylphenyl)-3-(oxane-4-carbonylamino)propanoic acid
CID 119209982
3-(4-tert-butylphenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoic acid
CID 5038466
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
N-[(1S)-1-(4-tert-butylphenyl)-2-fluoroethyl]-2-methoxyacetamide
CID 72708606
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 43358425
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid?
The IUPAC name of 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid (CID 119209944) is 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid is CC(C)(C)c1ccc(C(CC(=O)O)NC(=O)COCC2CC2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid?
The InChIKey is WFZMIPWWBPOLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-19(2,3)15-8-6-14(7-9-15)16(10-18(22)23)20-17(21)12-24-11-13-4-5-13/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid?
3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid has a molecular weight of 333.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-3-[[2-(cyclopropylmethoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 119209944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).