1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C15H28N2O4 — CID 106983805

IUPAC1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N(CCCO)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)15(13(19)20)6-8-16(10-15)14(21)17(12(3)4)7-5-9-18/h11-12,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyBHHMUMAXWWECAU-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.63
Rot. Bonds6

About 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983805) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983805
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N(CCCO)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(2)15(13(19)20)6-8-16(10-15)14(21)17(12(3)4)7-5-9-18/h11-12,18H,5-10H2,1-4H3,(H,19,20)
InChIKeyBHHMUMAXWWECAU-UHFFFAOYSA-N
XLogP1.63
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983804
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984113
1-[cyclopentyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983703
1-[2-cyanopropyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983802
1-[3-(methylamino)propylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983750
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
1-[cyclobutylmethyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 107400103
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719573
1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981552
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 54998929
(3R)-1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 129465596

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983805) is 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N(CCCO)C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is BHHMUMAXWWECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(2)15(13(19)20)6-8-16(10-15)14(21)17(12(3)4)7-5-9-18/h11-12,18H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).