1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid

C9H14N2O5 — CID 158162793

IUPAC1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CC1.NC1(C(=O)O)CC1
InChIInChI=1S/C5H7NO3.C4H7NO2/c6-3(7)5(1-2-5)4(8)9;5-4(1-2-4)3(6)7/h1-2H2,(H2,6,7)(H,8,9);1-2,5H2,(H,6,7)
InChIKeyFWMFGCCRKWCLSM-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.10
Rot. Bonds3

About 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid

1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid (PubChem CID 158162793) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid
PubChem CID158162793
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CC1.NC1(C(=O)O)CC1
InChIInChI=1S/C5H7NO3.C4H7NO2/c6-3(7)5(1-2-5)4(8)9;5-4(1-2-4)3(6)7/h1-2H2,(H2,6,7)(H,8,9);1-2,5H2,(H,6,7)
InChIKeyFWMFGCCRKWCLSM-UHFFFAOYSA-N
XLogP-1.10
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid (CID 158162793) is 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid is NC(=O)C1(C(=O)O)CC1.NC1(C(=O)O)CC1.
What is the InChIKey of 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid?
The InChIKey is FWMFGCCRKWCLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3.C4H7NO2/c6-3(7)5(1-2-5)4(8)9;5-4(1-2-4)3(6)7/h1-2H2,(H2,6,7)(H,8,9);1-2,5H2,(H,6,7).
What are the key properties of 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid?
1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclopropane-1-carboxylic acid;1-carbamoylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 158162793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).