(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H26N2O3 — CID 114085905

IUPAC(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C)N(C)C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)6-11(4)15(5)14(19)16-7-10(3)12(8-16)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18)/t10-,11?,12-/m1/s1
InChIKeyACYJOENKMUBXMG-IGBJHFKCSA-N
MW270.37 g/mol
LogP2.13
Rot. Bonds4

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

(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 114085905) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID114085905
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CC(C)N(C)C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)6-11(4)15(5)14(19)16-7-10(3)12(8-16)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18)/t10-,11?,12-/m1/s1
InChIKeyACYJOENKMUBXMG-IGBJHFKCSA-N
XLogP2.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-methyl-1-[methyl(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085888
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719541
(3S,4S)-4-methyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085867
1-(2-amino-4-methylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720387
(3S,4S)-1-[(2S)-2-amino-4-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98540017
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719728
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719575
4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 63720854
(3S,4S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085926
1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720389

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 114085905) is (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC(C)CC(C)N(C)C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1.
What is the InChIKey of (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ACYJOENKMUBXMG-IGBJHFKCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)6-11(4)15(5)14(19)16-7-10(3)12(8-16)13(17)18/h9-12H,6-8H2,1-5H3,(H,17,18)/t10-,11?,12-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-[methyl(4-methylpentan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114085905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).