1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C12H18N2O5 — CID 115451249

IUPAC1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H18N2O5/c1-19-9(15)8-3-2-6-14(8)11(18)13-7-12(4-5-12)10(16)17/h8H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyZMSYCGQDISQYFU-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.20
Rot. Bonds4

About 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451249) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451249
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCOC(=O)C1CCCN1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H18N2O5/c1-19-9(15)8-3-2-6-14(8)11(18)13-7-12(4-5-12)10(16)17/h8H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyZMSYCGQDISQYFU-UHFFFAOYSA-N
XLogP0.20
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 115451249) is 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is COC(=O)C1CCCN1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZMSYCGQDISQYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-19-9(15)8-3-2-6-14(8)11(18)13-7-12(4-5-12)10(16)17/h8H,2-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).