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

C7H9NO6 — CID 16758827

IUPAC3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
SMILESN[C@H](C(=O)O)C1C(C(=O)O)C1C(=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)/t1?,2?,3?,4-/m0/s1
InChIKeyMATPZHBYOVDBLI-FKNRSBSYSA-N
MW203.15 g/mol
LogP-1.57
Rot. Bonds4

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

3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid (PubChem CID 16758827) has the molecular formula C7H9NO6 and a molecular weight of 203.15 g/mol. Its IUPAC name is 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
PubChem CID16758827
Molecular FormulaC7H9NO6
Molecular Weight203.15 g/mol
Exact Mass203.04
IUPAC Name3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
SMILESN[C@H](C(=O)O)C1C(C(=O)O)C1C(=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)/t1?,2?,3?,4-/m0/s1
InChIKeyMATPZHBYOVDBLI-FKNRSBSYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
The IUPAC name of 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid (CID 16758827) is 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid.
What is the SMILES notation for 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
The canonical SMILES for 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid is N[C@H](C(=O)O)C1C(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
The InChIKey is MATPZHBYOVDBLI-FKNRSBSYSA-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)/t1?,2?,3?,4-/m0/s1.
What are the key properties of 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid?
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 3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid is sourced from PubChem (CID 16758827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).