2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

C20H26N4O4 — CID 122092580

IUPAC2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2ccc(N3CCC3=O)cc2)C1
InChIInChI=1S/C20H26N4O4/c25-18-7-8-24(18)16-5-3-14(4-6-16)21-20(28)22-15-9-17(10-15)23(12-19(26)27)11-13-1-2-13/h3-6,13,15,17H,1-2,7-12H2,(H,26,27)(H2,21,22,28)
InChIKeyANDXNNSJYPAWAW-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.87
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122092580) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122092580
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2ccc(N3CCC3=O)cc2)C1
InChIInChI=1S/C20H26N4O4/c25-18-7-8-24(18)16-5-3-14(4-6-16)21-20(28)22-15-9-17(10-15)23(12-19(26)27)11-13-1-2-13/h3-6,13,15,17H,1-2,7-12H2,(H,26,27)(H2,21,22,28)
InChIKeyANDXNNSJYPAWAW-UHFFFAOYSA-N
XLogP1.87
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[3-[[4-(methylcarbamoyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074740
2-[cyclopropylmethyl-[3-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122077967
2-[cyclopropylmethyl-[3-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076099
2-[[3-(1,3-benzodioxol-5-ylcarbamoylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073385
2-[cyclopropylmethyl-[3-[(3,4-dimethoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073765
2-[ethyl-[3-[[3-(2-oxopiperidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122075709
2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091275
2-[cyclopropylmethyl-[3-[(4-ethoxy-3-fluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122077250
1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[4-(2-oxoazetidin-1-yl)phenyl]urea
CID 124733513
2-[cyclopropylmethyl-[3-[[3-(difluoromethoxy)-4-methylphenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122084759
2-[cyclopropylmethyl-[3-[[3-(2-methylpropoxy)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122076721
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid (CID 122092580) is 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2ccc(N3CCC3=O)cc2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is ANDXNNSJYPAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c25-18-7-8-24(18)16-5-3-14(4-6-16)21-20(28)22-15-9-17(10-15)23(12-19(26)27)11-13-1-2-13/h3-6,13,15,17H,1-2,7-12H2,(H,26,27)(H2,21,22,28).
What are the key properties of 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122092580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).