4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid

C10H19N3O4 — CID 62480436

IUPAC4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-17-7-2-8(9(14)15)12-10(16)13-5-3-11-4-6-13/h8,11H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyBMPKUOVGIGSXAY-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.91
Rot. Bonds5

About 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid

4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid (PubChem CID 62480436) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid
PubChem CID62480436
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-17-7-2-8(9(14)15)12-10(16)13-5-3-11-4-6-13/h8,11H,2-7H2,1H3,(H,12,16)(H,14,15)
InChIKeyBMPKUOVGIGSXAY-UHFFFAOYSA-N
XLogP-0.91
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(thiomorpholine-4-carbonylamino)butanoic acid
CID 62480080
4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62777483
2-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-4-methoxybutanoic acid
CID 106836809
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
4-methoxy-2-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 62480603
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
4-methoxy-2-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63615061
4-methoxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962656
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid (CID 62480436) is 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid is COCCC(NC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid?
The InChIKey is BMPKUOVGIGSXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-17-7-2-8(9(14)15)12-10(16)13-5-3-11-4-6-13/h8,11H,2-7H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid?
4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(piperazine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 62480436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).