1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid

C6H9NO4 — CID 22708862

IUPAC1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
SMILESNC(C(=O)O)C1(C(=O)O)CC1
InChIInChI=1S/C6H9NO4/c7-3(4(8)9)6(1-2-6)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyIVKAZUWAYSFGPB-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.74
Rot. Bonds3

About 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid

1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid (PubChem CID 22708862) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
PubChem CID22708862
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
SMILESNC(C(=O)O)C1(C(=O)O)CC1
InChIInChI=1S/C6H9NO4/c7-3(4(8)9)6(1-2-6)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)
InChIKeyIVKAZUWAYSFGPB-UHFFFAOYSA-N
XLogP-0.74
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid (CID 22708862) is 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid is NC(C(=O)O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IVKAZUWAYSFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c7-3(4(8)9)6(1-2-6)5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11).
What are the key properties of 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 22708862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).