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

C7H9NO6 — CID 5310979

IUPACtrans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
SMILESN[C@H](C(=O)O)C1[C@@H](C(=O)O)[C@@H]1C(=O)O
InChIInChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
InChIKeyMATPZHBYOVDBLI-JJYYJPOSSA-N
MW203.15 g/mol
LogP-1.57
Rot. Bonds4

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

trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid (PubChem CID 5310979) has the molecular formula C7H9NO6 and a molecular weight of 203.15 g/mol. Its IUPAC name is trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
PubChem CID5310979
Molecular FormulaC7H9NO6
Molecular Weight203.15 g/mol
Exact Mass203.04
IUPAC Nametrans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
SMILESN[C@H](C(=O)O)C1[C@@H](C(=O)O)[C@@H]1C(=O)O
InChIInChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1
InChIKeyMATPZHBYOVDBLI-JJYYJPOSSA-N
XLogP-1.57
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719615
(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
(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid
CID 59925065
(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid
CID 15382774
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(cyclohexylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719622
2-[(S)-amino(carboxy)methyl]-3-(benzamidocarbamoyl)cyclopropane-1-carboxylic acid
CID 70014749
2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 70169674
(1R,2R,3R)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10681240
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-prop-2-enylcyclopropane-1-carboxylic acid
CID 70003963
2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 70168229
(2S)-2-amino-2-[(1S,2R,3R,4R)-3-hydroxy-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 122229668

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid (CID 5310979) is trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid is N[C@H](C(=O)O)C1[C@@H](C(=O)O)[C@@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
The InChIKey is MATPZHBYOVDBLI-JJYYJPOSSA-N. The full InChI is InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1.
What are the key properties of trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid has a molecular weight of 203.15 g/mol, XLogP of -1.57, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 5310979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).