(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid

C13H24N4O4 — CID 103927700

IUPAC(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-13(2,3)10(11(19)20)16-12(21)15-8-9(18)17-6-4-14-5-7-17/h10,14H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)/t10-/m0/s1
InChIKeyBJAGYFCZLLQFDT-JTQLQIEISA-N
MW300.36 g/mol
LogP-0.78
Rot. Bonds4

About (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid

(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid (PubChem CID 103927700) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
PubChem CID103927700
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
SMILESCC(C)(C)[C@@H](NC(=O)NCC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C13H24N4O4/c1-13(2,3)10(11(19)20)16-12(21)15-8-9(18)17-6-4-14-5-7-17/h10,14H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)/t10-/m0/s1
InChIKeyBJAGYFCZLLQFDT-JTQLQIEISA-N
XLogP-0.78
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid with MolForge

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Related Compounds

1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408614
(2S)-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]pentanoic acid
CID 107566361
4-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408281
(2R)-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 113353179
(2S)-3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 61197432
2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid
CID 61408091
2-(ethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 43468018
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119416513
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid (CID 103927700) is (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid is CC(C)(C)[C@@H](NC(=O)NCC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
The InChIKey is BJAGYFCZLLQFDT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N4O4/c1-13(2,3)10(11(19)20)16-12(21)15-8-9(18)17-6-4-14-5-7-17/h10,14H,4-8H2,1-3H3,(H,19,20)(H2,15,16,21)/t10-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid?
(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid has a molecular weight of 300.36 g/mol, XLogP of -0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 103927700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).