2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid

C13H21N3O4 — CID 81162871

IUPAC2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCC(=O)NC2CC2)CCC1
InChIInChI=1S/C13H21N3O4/c17-10(16-9-2-3-9)7-14-12(20)15-8-13(4-1-5-13)6-11(18)19/h9H,1-8H2,(H,16,17)(H,18,19)(H2,14,15,20)
InChIKeyDUKBYTRNXMBRQI-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.21
Rot. Bonds7

About 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81162871) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81162871
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)NCC(=O)NC2CC2)CCC1
InChIInChI=1S/C13H21N3O4/c17-10(16-9-2-3-9)7-14-12(20)15-8-13(4-1-5-13)6-11(18)19/h9H,1-8H2,(H,16,17)(H,18,19)(H2,14,15,20)
InChIKeyDUKBYTRNXMBRQI-UHFFFAOYSA-N
XLogP0.21
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[[3-(cyclopropylamino)propylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81163436
2-[1-[(2,2-dicyclopropylethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81156613
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162990
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529
2-[1-[2-[(1,1-dioxothian-4-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071310
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[[(2,2-dimethyloxan-4-yl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 83034492
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid (CID 81162871) is 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)NCC(=O)NC2CC2)CCC1.
What is the InChIKey of 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is DUKBYTRNXMBRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-10(16-9-2-3-9)7-14-12(20)15-8-13(4-1-5-13)6-11(18)19/h9H,1-8H2,(H,16,17)(H,18,19)(H2,14,15,20).
What are the key properties of 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.21, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81162871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).