(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid

C12H20N2O5 — CID 83220541

IUPAC(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
SMILESCCC1CCC(C)N1C(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-8-5-4-7(2)14(8)12(19)13-9(11(17)18)6-10(15)16/h7-9H,3-6H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)/t7?,8?,9-/m1/s1
InChIKeyDLVDYIHGWYGZOZ-AMDVSUOASA-N
MW272.30 g/mol
LogP0.89
Rot. Bonds5

About (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid

(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid (PubChem CID 83220541) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
PubChem CID83220541
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid
SMILESCCC1CCC(C)N1C(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-3-8-5-4-7(2)14(8)12(19)13-9(11(17)18)6-10(15)16/h7-9H,3-6H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)/t7?,8?,9-/m1/s1
InChIKeyDLVDYIHGWYGZOZ-AMDVSUOASA-N
XLogP0.89
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005800
2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 83218784
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104895316
2-cyclohexyl-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 83220118
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
N-cyclobutyl-2-ethyl-5-methylpyrrolidine-1-carboxamide
CID 115888716
4-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 83220540
(2R)-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-hydroxypropan-1-one
CID 131155812
3-[ethyl-(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 83219455
1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115887075
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-oxoethoxy]acetic acid
CID 83227952

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid?
The IUPAC name of (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid (CID 83220541) is (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid.
What is the SMILES notation for (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid?
The canonical SMILES for (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid is CCC1CCC(C)N1C(=O)N[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid?
The InChIKey is DLVDYIHGWYGZOZ-AMDVSUOASA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-8-5-4-7(2)14(8)12(19)13-9(11(17)18)6-10(15)16/h7-9H,3-6H2,1-2H3,(H,13,19)(H,15,16)(H,17,18)/t7?,8?,9-/m1/s1.
What are the key properties of (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid?
(2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid has a molecular weight of 272.30 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 83220541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).