2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid

C20H25N5O3 — CID 122091275

IUPAC2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2nccn2-c2ccccc2)C1
InChIInChI=1S/C20H25N5O3/c26-18(27)13-24(12-14-6-7-14)17-10-15(11-17)22-20(28)23-19-21-8-9-25(19)16-4-2-1-3-5-16/h1-5,8-9,14-15,17H,6-7,10-13H2,(H,26,27)(H2,21,22,23,28)
InChIKeyKJYDTSIXNVLREG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.32
Rot. Bonds8

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

2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122091275) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122091275
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2nccn2-c2ccccc2)C1
InChIInChI=1S/C20H25N5O3/c26-18(27)13-24(12-14-6-7-14)17-10-15(11-17)22-20(28)23-19-21-8-9-25(19)16-4-2-1-3-5-16/h1-5,8-9,14-15,17H,6-7,10-13H2,(H,26,27)(H2,21,22,23,28)
InChIKeyKJYDTSIXNVLREG-UHFFFAOYSA-N
XLogP2.32
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl-[3-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074801
2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073452
2-[cyclopropylmethyl-[3-[(1-methyl-5-phenylpyrazol-4-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093528
2-[cyclopropylmethyl-[3-[(2-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
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2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122086987
2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092580
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542
2-[cyclopropylmethyl-[3-[(2,4,6-trimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073514
2-cyclobutyl-N-(1-phenylimidazol-2-yl)acetamide
CID 91653270
2-[cyclopropylmethyl-[3-[[4-(methylcarbamoyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074740
2-[cyclopropylmethyl-[3-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122086827
2-[[3-[(4-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073782

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122091275) is 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2nccn2-c2ccccc2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is KJYDTSIXNVLREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-18(27)13-24(12-14-6-7-14)17-10-15(11-17)22-20(28)23-19-21-8-9-25(19)16-4-2-1-3-5-16/h1-5,8-9,14-15,17H,6-7,10-13H2,(H,26,27)(H2,21,22,23,28).
What are the key properties of 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 383.45 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(1-phenylimidazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122091275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).