1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid

C23H23NO6 — CID 163896152

IUPAC1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid
SMILESO=C(CCC(=O)OCC1c2ccccc2-c2ccccc21)NCOC1(C(=O)O)CC1
InChIInChI=1S/C23H23NO6/c25-20(24-14-30-23(11-12-23)22(27)28)9-10-21(26)29-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25)(H,27,28)
InChIKeyUGTMFWPHDXIFOR-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.83
Rot. Bonds9

About 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid

1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid (PubChem CID 163896152) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid
PubChem CID163896152
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid
SMILESO=C(CCC(=O)OCC1c2ccccc2-c2ccccc21)NCOC1(C(=O)O)CC1
InChIInChI=1S/C23H23NO6/c25-20(24-14-30-23(11-12-23)22(27)28)9-10-21(26)29-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25)(H,27,28)
InChIKeyUGTMFWPHDXIFOR-UHFFFAOYSA-N
XLogP2.83
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[[2-[[(2S)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]cyclopropane-1-carboxylic acid
CID 156900329
1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxymethyl]cyclopropane-1-carboxylic acid
CID 151028370
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175828147
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
benzyl 1-[[[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]methoxy]cyclopropane-1-carboxylate
CID 171052923
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
4-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexoxy]-4-oxobutanoic acid
CID 70264065
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid (CID 163896152) is 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid is O=C(CCC(=O)OCC1c2ccccc2-c2ccccc21)NCOC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid?
The InChIKey is UGTMFWPHDXIFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c25-20(24-14-30-23(11-12-23)22(27)28)9-10-21(26)29-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25)(H,27,28).
What are the key properties of 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid?
1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid has a molecular weight of 409.44 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoyl]amino]methoxy]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 163896152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).