2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid

C17H23NO4 — CID 119194710

IUPAC2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid
SMILESCc1cccc(OCCCCC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C17H23NO4/c1-13-5-4-6-15(11-13)22-10-3-2-7-16(19)18(12-17(20)21)14-8-9-14/h4-6,11,14H,2-3,7-10,12H2,1H3,(H,20,21)
InChIKeyPFINNLXGFZMQGK-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.62
Rot. Bonds9

About 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid

2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid (PubChem CID 119194710) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid
PubChem CID119194710
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid
SMILESCc1cccc(OCCCCC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C17H23NO4/c1-13-5-4-6-15(11-13)22-10-3-2-7-16(19)18(12-17(20)21)14-8-9-14/h4-6,11,14H,2-3,7-10,12H2,1H3,(H,20,21)
InChIKeyPFINNLXGFZMQGK-UHFFFAOYSA-N
XLogP2.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[4-(3-methylphenoxy)butanoyl]amino]acetic acid
CID 61022486
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116
2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid (CID 119194710) is 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid is Cc1cccc(OCCCCC(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid?
The InChIKey is PFINNLXGFZMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-13-5-4-6-15(11-13)22-10-3-2-7-16(19)18(12-17(20)21)14-8-9-14/h4-6,11,14H,2-3,7-10,12H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid?
2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(3-methylphenoxy)pentanoyl]amino]acetic acid is sourced from PubChem (CID 119194710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).