1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C14H27N3O3 — CID 63032091

IUPAC1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(CN(C)C)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-10(2)7-12(9-16(3)4)15-14(20)17-6-5-11(8-17)13(18)19/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRRWOQUDKMANCAI-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.08
Rot. Bonds6

About 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032091) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032091
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(CN(C)C)NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H27N3O3/c1-10(2)7-12(9-16(3)4)15-14(20)17-6-5-11(8-17)13(18)19/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRRWOQUDKMANCAI-UHFFFAOYSA-N
XLogP1.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032946
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 104829352
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122002874
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585
1-[1-(oxan-4-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114115277
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120309

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 63032091) is 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid is CC(C)CC(CN(C)C)NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RRWOQUDKMANCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-10(2)7-12(9-16(3)4)15-14(20)17-6-5-11(8-17)13(18)19/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).