(2S)-2-aminopentanedioic acid;cyclopropene

C8H13NO4 — CID 67575397

IUPAC(2S)-2-aminopentanedioic acid;cyclopropene
SMILESC1=CC1.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H4/c6-3(5(9)10)1-2-4(7)8;1-2-3-1/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H,3H2/t3-;/m0./s1
InChIKeyMTXHJBIZWVCPKZ-DFWYDOINSA-N
MW187.19 g/mol
LogP0.21
Rot. Bonds4

About (2S)-2-aminopentanedioic acid;cyclopropene

(2S)-2-aminopentanedioic acid;cyclopropene (PubChem CID 67575397) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;cyclopropene.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;cyclopropene
PubChem CID67575397
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(2S)-2-aminopentanedioic acid;cyclopropene
SMILESC1=CC1.N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4.C3H4/c6-3(5(9)10)1-2-4(7)8;1-2-3-1/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H,3H2/t3-;/m0./s1
InChIKeyMTXHJBIZWVCPKZ-DFWYDOINSA-N
XLogP0.21
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;cyclopropene?
The IUPAC name of (2S)-2-aminopentanedioic acid;cyclopropene (CID 67575397) is (2S)-2-aminopentanedioic acid;cyclopropene.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;cyclopropene?
The canonical SMILES for (2S)-2-aminopentanedioic acid;cyclopropene is C1=CC1.N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-aminopentanedioic acid;cyclopropene?
The InChIKey is MTXHJBIZWVCPKZ-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.C3H4/c6-3(5(9)10)1-2-4(7)8;1-2-3-1/h3H,1-2,6H2,(H,7,8)(H,9,10);1-2H,3H2/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;cyclopropene?
(2S)-2-aminopentanedioic acid;cyclopropene has a molecular weight of 187.19 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;cyclopropene is sourced from PubChem (CID 67575397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).