1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid

C15H17NO3 — CID 84559564

IUPAC1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)C1CCC1
InChIInChI=1S/C15H17NO3/c17-13(11-7-4-8-11)16-15(14(18)19)9-12(15)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)(H,18,19)
InChIKeyZUXBRCRGBVMWLD-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.91
Rot. Bonds4

About 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid

1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 84559564) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid
PubChem CID84559564
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1c1ccccc1)C1CCC1
InChIInChI=1S/C15H17NO3/c17-13(11-7-4-8-11)16-15(14(18)19)9-12(15)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)(H,18,19)
InChIKeyZUXBRCRGBVMWLD-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-1-[[(2S)-2-hydroxypropanoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 176961744
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
trans-(1S,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 7009512
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
2-phenyl-1-(pyrazine-2-carbonylamino)cyclopropane-1-carboxylic acid
CID 148952571
2-phenyl-1-(thiophene-2-carbonylamino)cyclopropane-1-carboxylic acid
CID 84559514
1-[(3-methylbenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559404
1-[(3-bromobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84558954
N-benzylcyclobutanecarboxamide
CID 730128
1-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559632
1-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84562022
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid (CID 84559564) is 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1c1ccccc1)C1CCC1.
What is the InChIKey of 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is ZUXBRCRGBVMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13(11-7-4-8-11)16-15(14(18)19)9-12(15)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid?
1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonylamino)-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 84559564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).