(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid

C8H12FNO4 — CID 59925065

IUPAC(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@H]1[C@@H](CCF)[C@@H]1C(=O)O
InChIInChI=1S/C8H12FNO4/c9-2-1-3-4(5(3)7(11)12)6(10)8(13)14/h3-6H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4+,5+,6+/m1/s1
InChIKeyKNKYNQUZQWJIQO-VANKVMQKSA-N
MW205.18 g/mol
LogP-0.30
Rot. Bonds5

About (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid

(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid (PubChem CID 59925065) has the molecular formula C8H12FNO4 and a molecular weight of 205.18 g/mol. Its IUPAC name is (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid
PubChem CID59925065
Molecular FormulaC8H12FNO4
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@H]1[C@@H](CCF)[C@@H]1C(=O)O
InChIInChI=1S/C8H12FNO4/c9-2-1-3-4(5(3)7(11)12)6(10)8(13)14/h3-6H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4+,5+,6+/m1/s1
InChIKeyKNKYNQUZQWJIQO-VANKVMQKSA-N
XLogP-0.30
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid
CID 15382774
2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 70169674
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-prop-2-enylcyclopropane-1-carboxylic acid
CID 70003963
trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
CID 5310979
2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 70168229
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 160770564
2-[(S)-amino(carboxy)methyl]-3-cyanocyclopropane-1-carboxylic acid
CID 70013860
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719615
(1R,2R,3R)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10681240
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(cyclohexylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719622
2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 75596236
2-(aminomethyl)-3-fluoropropanoic acid
CID 20508331

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid (CID 59925065) is (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid is N[C@H](C(=O)O)[C@H]1[C@@H](CCF)[C@@H]1C(=O)O.
What is the InChIKey of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
The InChIKey is KNKYNQUZQWJIQO-VANKVMQKSA-N. The full InChI is InChI=1S/C8H12FNO4/c9-2-1-3-4(5(3)7(11)12)6(10)8(13)14/h3-6H,1-2,10H2,(H,11,12)(H,13,14)/t3-,4+,5+,6+/m1/s1.
What are the key properties of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid?
(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59925065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).