4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid

C13H23N3O4 — CID 103158808

IUPAC4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N1CCN(C2CC2)CC1)CC(=O)O
InChIInChI=1S/C13H23N3O4/c1-20-11(8-12(17)18)9-14-13(19)16-6-4-15(5-7-16)10-2-3-10/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyRTHGWGIBBZGJFE-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.03
Rot. Bonds6

About 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid

4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid (PubChem CID 103158808) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
PubChem CID103158808
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N1CCN(C2CC2)CC1)CC(=O)O
InChIInChI=1S/C13H23N3O4/c1-20-11(8-12(17)18)9-14-13(19)16-6-4-15(5-7-16)10-2-3-10/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyRTHGWGIBBZGJFE-UHFFFAOYSA-N
XLogP-0.03
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 106836750
3-methoxy-4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 103159285
3-methoxy-4-[(4-propan-2-ylazepane-1-carbonyl)amino]butanoic acid
CID 103159491
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103159409
3-methoxy-4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103159678
3-methoxy-4-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]butanoic acid
CID 103159795
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
CID 103159355
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 103159359
3-methoxy-4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 103160151
3-methoxy-4-[(2-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103160015
4-(2-cyclopropylpropanoylamino)-3-methoxybutanoic acid
CID 103153368
4-[[2-(cyclopropylmethylamino)acetyl]amino]-3-methoxybutanoic acid
CID 103156988

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid (CID 103158808) is 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid is COC(CNC(=O)N1CCN(C2CC2)CC1)CC(=O)O.
What is the InChIKey of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
The InChIKey is RTHGWGIBBZGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-20-11(8-12(17)18)9-14-13(19)16-6-4-15(5-7-16)10-2-3-10/h10-11H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid?
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103158808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).