tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate

C14H24N2O4 — CID 106707688

IUPACtert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
SMILESCC(NC(=O)CCC(=O)OC(C)(C)C)C(=O)NC1CC1
InChIInChI=1S/C14H24N2O4/c1-9(13(19)16-10-5-6-10)15-11(17)7-8-12(18)20-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,16,19)
InChIKeySFAGLDNJAYFKBW-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.89
Rot. Bonds6

About tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate

tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate (PubChem CID 106707688) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
PubChem CID106707688
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
SMILESCC(NC(=O)CCC(=O)OC(C)(C)C)C(=O)NC1CC1
InChIInChI=1S/C14H24N2O4/c1-9(13(19)16-10-5-6-10)15-11(17)7-8-12(18)20-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,16,19)
InChIKeySFAGLDNJAYFKBW-UHFFFAOYSA-N
XLogP0.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
CID 106707367
tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
CID 106707162
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
tert-butyl 4-[[(2R)-2-acetamidopropanoyl]amino]cyclohexane-1-carboxylate
CID 97160965
tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate
CID 106707693
2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176
tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
CID 106812356
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate (CID 106707688) is tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate is CC(NC(=O)CCC(=O)OC(C)(C)C)C(=O)NC1CC1.
What is the InChIKey of tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate?
The InChIKey is SFAGLDNJAYFKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(13(19)16-10-5-6-10)15-11(17)7-8-12(18)20-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,16,19).
What are the key properties of tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate?
tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate has a molecular weight of 284.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 106707688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).