(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid

C11H19N3O4 — CID 107826453

IUPAC(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCCC1CCCN1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-2-7-4-3-5-14(7)11(18)13-8(10(16)17)6-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1
InChIKeyHCHTWVARKDQJQN-BRFYHDHCSA-N
MW257.29 g/mol
LogP-0.10
Rot. Bonds5

About (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 107826453) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID107826453
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCCC1CCCN1C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-2-7-4-3-5-14(7)11(18)13-8(10(16)17)6-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1
InChIKeyHCHTWVARKDQJQN-BRFYHDHCSA-N
XLogP-0.10
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61207093
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
(2S)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107826455
2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61209577
(2R)-4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005368
4-amino-2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 61200187
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
(2S)-2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)-4-amino-4-oxobutanoic acid
CID 63717544
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
(2R)-4-amino-2-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005800
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
4-amino-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61425360

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 107826453) is (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid is CCC1CCCN1C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is HCHTWVARKDQJQN-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-2-7-4-3-5-14(7)11(18)13-8(10(16)17)6-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107826453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).