1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 63147465

IUPAC1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N(CCO)C2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-5-14(12(18)19)6-7-15(10-14)13(20)16(8-9-17)11-3-4-11/h11,17H,2-10H2,1H3,(H,18,19)
InChIKeyXMUZXYWBUVUMMP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.14
Rot. Bonds6

About 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid

1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63147465) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63147465
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N(CCO)C2CC2)C1
InChIInChI=1S/C14H24N2O4/c1-2-5-14(12(18)19)6-7-15(10-14)13(20)16(8-9-17)11-3-4-11/h11,17H,2-10H2,1H3,(H,18,19)
InChIKeyXMUZXYWBUVUMMP-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983804
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149603
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
1-[butan-2-yl(ethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149265
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149168
1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144756
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66371677
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55164801

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid (CID 63147465) is 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N(CCO)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is XMUZXYWBUVUMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-5-14(12(18)19)6-7-15(10-14)13(20)16(8-9-17)11-3-4-11/h11,17H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).