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

C13H24N4O4 — CID 107827567

IUPAC(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid
SMILESCC(C)CN1CCN(C(=O)N[C@H](CC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-9(2)8-16-3-5-17(6-4-16)13(21)15-10(12(19)20)7-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyGKNNXFKAKVBMGV-SNVBAGLBSA-N
MW300.36 g/mol
LogP-0.70
Rot. Bonds6

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

(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid (PubChem CID 107827567) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid
PubChem CID107827567
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid
SMILESCC(C)CN1CCN(C(=O)N[C@H](CC(N)=O)C(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-9(2)8-16-3-5-17(6-4-16)13(21)15-10(12(19)20)7-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1
InChIKeyGKNNXFKAKVBMGV-SNVBAGLBSA-N
XLogP-0.70
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218
(2S)-4-amino-4-oxo-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 103500595
4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62777483
(2S,3R)-3-hydroxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 104966208
(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
(2R)-4-amino-2-(1,4-oxazepane-4-carbonylamino)-4-oxobutanoic acid
CID 107827630
5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
CID 61188919
(2S)-4-amino-2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]-4-oxobutanoic acid
CID 107457402
4-amino-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]-4-oxobutanoic acid
CID 82015600
(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 114005879
(2S)-4-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-oxobutanoic acid
CID 102891177

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid (CID 107827567) is (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid is CC(C)CN1CCN(C(=O)N[C@H](CC(N)=O)C(=O)O)CC1.
What is the InChIKey of (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid?
The InChIKey is GKNNXFKAKVBMGV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-9(2)8-16-3-5-17(6-4-16)13(21)15-10(12(19)20)7-11(14)18/h9-10H,3-8H2,1-2H3,(H2,14,18)(H,15,21)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107827567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).