4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid

C13H26N2O5 — CID 103159975

IUPAC4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid
SMILESCCCCOCCCNC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C13H26N2O5/c1-3-4-7-20-8-5-6-14-13(18)15-10-11(19-2)9-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHDHVYSPTTSKZRN-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.98
Rot. Bonds12

About 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid

4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid (PubChem CID 103159975) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid
PubChem CID103159975
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid
SMILESCCCCOCCCNC(=O)NCC(CC(=O)O)OC
InChIInChI=1S/C13H26N2O5/c1-3-4-7-20-8-5-6-14-13(18)15-10-11(19-2)9-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyHDHVYSPTTSKZRN-UHFFFAOYSA-N
XLogP0.98
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-butoxyethylcarbamoylamino)-3-methoxybutanoic acid
CID 103159167
3-methoxy-4-(4-methoxybutylcarbamoylamino)butanoic acid
CID 103159129
4-[(4-amino-4-oxobutyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158686
3-methoxy-4-(4-propan-2-yloxybutylcarbamoylamino)butanoic acid
CID 106004522
3-methoxy-4-(5-methylsulfanylpentylcarbamoylamino)butanoic acid
CID 114128544
(3S)-5-methyl-3-[(3-propoxypropylcarbamoylamino)methyl]hexanoic acid
CID 82941576
4-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]-3-methoxybutanoic acid
CID 103159154
3-methoxy-4-(3-pyrazol-1-ylpropylcarbamoylamino)butanoic acid
CID 103159909
3-methoxy-4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 103158580
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
2-hydroxy-3-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82943732

Frequently Asked Questions

What is the IUPAC name of 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid (CID 103159975) is 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid is CCCCOCCCNC(=O)NCC(CC(=O)O)OC.
What is the InChIKey of 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid?
The InChIKey is HDHVYSPTTSKZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-3-4-7-20-8-5-6-14-13(18)15-10-11(19-2)9-12(16)17/h11H,3-10H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid?
4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid has a molecular weight of 290.36 g/mol, XLogP of 0.98, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butoxypropylcarbamoylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103159975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).