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

C12H20N4O5 — CID 81156346

IUPAC2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESNC(=O)CN(CC(N)=O)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C12H20N4O5/c13-8(17)5-16(6-9(14)18)11(21)15-7-12(2-1-3-12)4-10(19)20/h1-7H2,(H2,13,17)(H2,14,18)(H,15,21)(H,19,20)
InChIKeyYUWDINWKTPARKF-UHFFFAOYSA-N
MW300.32 g/mol
LogP-1.39
Rot. Bonds8

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

2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid (PubChem CID 81156346) has the molecular formula C12H20N4O5 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid
PubChem CID81156346
Molecular FormulaC12H20N4O5
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid
SMILESNC(=O)CN(CC(N)=O)C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C12H20N4O5/c13-8(17)5-16(6-9(14)18)11(21)15-7-12(2-1-3-12)4-10(19)20/h1-7H2,(H2,13,17)(H2,14,18)(H,15,21)(H,19,20)
InChIKeyYUWDINWKTPARKF-UHFFFAOYSA-N
XLogP-1.39
TPSA155.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81162549
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163219
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-[[[cyclopentyl(ethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163144
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163012
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
2-[1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclobutyl]acetic acid
CID 115444268
2-[1-[[(4-amino-4-methylpentanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81161804
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid (CID 81156346) is 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid is NC(=O)CN(CC(N)=O)C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
The InChIKey is YUWDINWKTPARKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O5/c13-8(17)5-16(6-9(14)18)11(21)15-7-12(2-1-3-12)4-10(19)20/h1-7H2,(H2,13,17)(H2,14,18)(H,15,21)(H,19,20).
What are the key properties of 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid?
2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid has a molecular weight of 300.32 g/mol, XLogP of -1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[bis(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81156346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).