4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

C11H20N2O4 — CID 54900854

IUPAC4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESCCC(C)NC(=O)CCNC(=O)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(2)13-10(15)6-7-12-9(14)4-5-11(16)17/h8H,3-7H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyQXLSRUHZOIUXSX-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.27
Rot. Bonds8

About 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (PubChem CID 54900854) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
PubChem CID54900854
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESCCC(C)NC(=O)CCNC(=O)CCC(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-8(2)13-10(15)6-7-12-9(14)4-5-11(16)17/h8H,3-7H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyQXLSRUHZOIUXSX-UHFFFAOYSA-N
XLogP0.27
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79192929
4-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 120560806
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
2-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119297115
(E)-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobut-2-enoic acid
CID 54900855
3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821765
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
3-(aminomethyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]pentanamide
CID 81086542

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (CID 54900854) is 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is CCC(C)NC(=O)CCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The InChIKey is QXLSRUHZOIUXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-8(2)13-10(15)6-7-12-9(14)4-5-11(16)17/h8H,3-7H2,1-2H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 54900854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).