2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid

C13H25N3O4 — CID 65048132

IUPAC2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCOCC(NC(=O)N1CCN(CC(=O)O)CC1)C(C)C
InChIInChI=1S/C13H25N3O4/c1-10(2)11(9-20-3)14-13(19)16-6-4-15(5-7-16)8-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyCZVKVZNKRFUUKY-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.07
Rot. Bonds6

About 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 65048132) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID65048132
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCOCC(NC(=O)N1CCN(CC(=O)O)CC1)C(C)C
InChIInChI=1S/C13H25N3O4/c1-10(2)11(9-20-3)14-13(19)16-6-4-15(5-7-16)8-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyCZVKVZNKRFUUKY-UHFFFAOYSA-N
XLogP0.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperazin-1-yl]acetic acid
CID 61465895
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
CID 65049341
N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide
CID 97098734
2-[4-[ethyl(2-methoxyethyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61447579
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 82938505
N-[(2S)-1-methoxy-3-methylbutan-2-yl]acetamide
CID 167034901
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65053654
2-[4-[methyl(3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 61200830
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
4-methoxy-2-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 62777483

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid (CID 65048132) is 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid is COCC(NC(=O)N1CCN(CC(=O)O)CC1)C(C)C.
What is the InChIKey of 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is CZVKVZNKRFUUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-10(2)11(9-20-3)14-13(19)16-6-4-15(5-7-16)8-12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 65048132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).