4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid

C13H23N3O3 — CID 81069360

IUPAC4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
SMILESCC(CNC(=O)NC1CCN(C2CC2)C1)CC(=O)O
InChIInChI=1S/C13H23N3O3/c1-9(6-12(17)18)7-14-13(19)15-10-4-5-16(8-10)11-2-3-11/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyHFRWOFTTYLRULT-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.63
Rot. Bonds6

About 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid

4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid (PubChem CID 81069360) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
PubChem CID81069360
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
SMILESCC(CNC(=O)NC1CCN(C2CC2)C1)CC(=O)O
InChIInChI=1S/C13H23N3O3/c1-9(6-12(17)18)7-14-13(19)15-10-4-5-16(8-10)11-2-3-11/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyHFRWOFTTYLRULT-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-amino-1-[ethyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 503253
4-Amino-1-(ethyl-isopropyl-carbamoyl)-pyrrolidine-3-carboxylic acid
CID 505893
(3S,4S)-4-amino-1-(diisopropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278232
(3S,4S)-4-amino-1-[3-hydroxypropyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278235
4-Amino-1-diisopropylcarbamoyl-pyrrolidine-3-carboxylic acid
CID 44272318
4-Amino-1-[(3-hydroxy-propyl)-isopropyl-carbamoyl]-pyrrolidine-3-carboxylic acid
CID 44272441
(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278229
(3S,4S)-4-amino-1-(dipropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278230
(3S,4S)-4-amino-1-[(4-hydroxy-4-oxo-butyl)-isopropyl-carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
(3S,4S)-1-(diisopropylcarbamoyl)-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 5278242
(3S,4S)-4-(butylamino)-1-(diisopropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 5278243
(3S,4S)-1-(diisopropylcarbamoyl)-4-(dimethylcarbamoylamino)pyrrolidine-3-carboxylic acid
CID 5278245

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid (CID 81069360) is 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid is CC(CNC(=O)NC1CCN(C2CC2)C1)CC(=O)O.
What is the InChIKey of 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid?
The InChIKey is HFRWOFTTYLRULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9(6-12(17)18)7-14-13(19)15-10-4-5-16(8-10)11-2-3-11/h9-11H,2-8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid?
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid has a molecular weight of 269.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 81069360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).