1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H25N3O4 — CID 106984113

IUPAC1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCNC(=O)CCN(C)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-10(2)14(12(19)20)6-8-17(9-14)13(21)16(4)7-5-11(18)15-3/h10H,5-9H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyCNSOKPKEAKOSRQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.61
Rot. Bonds5

About 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984113) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984113
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCNC(=O)CCN(C)C(=O)N1CCC(C(=O)O)(C(C)C)C1
InChIInChI=1S/C14H25N3O4/c1-10(2)14(12(19)20)6-8-17(9-14)13(21)16(4)7-5-11(18)15-3/h10H,5-9H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyCNSOKPKEAKOSRQ-UHFFFAOYSA-N
XLogP0.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-cyanopropyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983802
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983804
1-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983805
1-[furan-2-ylmethyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983695
1-[methyl(thiophen-2-ylmethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983696
1-[cyclopentyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983703
1-[3-(methylamino)propylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983750
3-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 103357125
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]acetic acid
CID 106917190

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984113) is 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CNC(=O)CCN(C)C(=O)N1CCC(C(=O)O)(C(C)C)C1.
What is the InChIKey of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is CNSOKPKEAKOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(2)14(12(19)20)6-8-17(9-14)13(21)16(4)7-5-11(18)15-3/h10H,5-9H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).