1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid

C8H9NO3 — CID 55297115

IUPAC1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1c1ccco1
InChIInChI=1S/C8H9NO3/c9-8(7(10)11)4-5(8)6-2-1-3-12-6/h1-3,5H,4,9H2,(H,10,11)
InChIKeyYCPRVMISNDOCQH-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.55
Rot. Bonds2

About 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid

1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 55297115) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid
PubChem CID55297115
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1c1ccco1
InChIInChI=1S/C8H9NO3/c9-8(7(10)11)4-5(8)6-2-1-3-12-6/h1-3,5H,4,9H2,(H,10,11)
InChIKeyYCPRVMISNDOCQH-UHFFFAOYSA-N
XLogP0.55
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-4-(furan-2-yl)butanoic acid
CID 10130245
(S)-3-(aminomethyl)-4-(furan-2-yl)butanoic acid
CID 12985748
(R)-3-(aminomethyl)-4-(furan-2-yl)butanoic acid
CID 12985750
2-Amino-4-(furan-2-yl)-4-oxobutanoic acid
CID 22326395
4-Amino-3-(furan-2-yl)butanoic acid
CID 15696509
4-Amino-3-(5-methylfuran-2-yl)butanoic acid
CID 15696511
(3S)-4-amino-3-(5-methylfuran-2-yl)butanoic acid
CID 44297332
rac-(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid
CID 28901701
(3S)-4-amino-3-(furan-2-yl)butanoic acid
CID 15696510
(2S)-2-amino-4-(furan-2-yl)-4-oxobutanoic acid
CID 15108500
Ethyl 2-(2-furanyl)cyclopropanecarboxylate
CID 12365584
Furfurylsuccinic acid
CID 22603395

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid (CID 55297115) is 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid is NC1(C(=O)O)CC1c1ccco1.
What is the InChIKey of 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is YCPRVMISNDOCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c9-8(7(10)11)4-5(8)6-2-1-3-12-6/h1-3,5H,4,9H2,(H,10,11).
What are the key properties of 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid?
1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55297115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).