2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid

C17H23NO4 — CID 119203020

IUPAC2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
SMILESCC(C)Oc1ccccc1CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H23NO4/c1-11(2)22-15-7-5-4-6-13(15)10-16(19)18(14-8-9-14)12(3)17(20)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,20,21)
InChIKeyGTDJDPAEEPSTIL-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.48
Rot. Bonds7

About 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid

2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid (PubChem CID 119203020) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
PubChem CID119203020
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
SMILESCC(C)Oc1ccccc1CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H23NO4/c1-11(2)22-15-7-5-4-6-13(15)10-16(19)18(14-8-9-14)12(3)17(20)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,20,21)
InChIKeyGTDJDPAEEPSTIL-UHFFFAOYSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119228442
N-piperidin-4-yl-2-(2-propan-2-yloxyphenyl)-N-propylacetamide
CID 119823731
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120519197
2-[cyclopropyl-[2-(2,4,5-trifluorophenyl)acetyl]amino]propanoic acid
CID 122067370
N-(1-aminopropan-2-yl)-N-methyl-2-(2-propan-2-yloxyphenyl)acetamide
CID 119582125
2-[cyclopropyl-[2-(4-iodophenyl)acetyl]amino]propanoic acid
CID 122067423
2-(dimethylamino)-3-(2-propan-2-yloxyphenyl)propanoic acid
CID 83969872
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 119203511
2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid
CID 119202486
2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid
CID 119202832
methyl (2R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-[2-(2-methoxyphenyl)acetyl]amino]propanoate
CID 39884743

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid (CID 119203020) is 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid is CC(C)Oc1ccccc1CC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is GTDJDPAEEPSTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11(2)22-15-7-5-4-6-13(15)10-16(19)18(14-8-9-14)12(3)17(20)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid?
2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119203020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).