3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid

C10H18N2O4 — CID 107323806

IUPAC3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)COC(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)5-16-9(15)12-4-3-10(11,6-12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyRUQMMSCQJDCBPL-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.27
Rot. Bonds3

About 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid

3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 107323806) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
PubChem CID107323806
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)COC(=O)N1CCC(N)(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-7(2)5-16-9(15)12-4-3-10(11,6-12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)
InChIKeyRUQMMSCQJDCBPL-UHFFFAOYSA-N
XLogP0.27
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97449150
1-(2-methylpropoxycarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135724
(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
3-amino-1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 114032004
(3S)-3-amino-1-(2-aminopropanoyl)piperidine-3-carboxylic acid
CID 167074767
2-methylpropyl 4-iodopiperazine-1-carboxylate
CID 155242434
1-acetyl-4-aminopiperidine-4-carboxylic acid
CID 127018755
3-amino-1-(cyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 107323128
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83266479
2-methylpropyl N-[2-(3,3-dimethylpyrrolidin-1-yl)-2-oxoethyl]carbamate
CID 70320103

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid (CID 107323806) is 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid is CC(C)COC(=O)N1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RUQMMSCQJDCBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(2)5-16-9(15)12-4-3-10(11,6-12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).