2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid

C18H25N5O3 — CID 122086987

IUPAC2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H25N5O3/c24-17(25)10-23(9-11-1-2-11)14-7-13(8-14)19-18(26)20-16-6-5-15(21-22-16)12-3-4-12/h5-6,11-14H,1-4,7-10H2,(H,24,25)(H2,19,20,22,26)
InChIKeyCCLJXEMWTKFEQQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.80
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid (PubChem CID 122086987) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
PubChem CID122086987
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2ccc(C3CC3)nn2)C1
InChIInChI=1S/C18H25N5O3/c24-17(25)10-23(9-11-1-2-11)14-7-13(8-14)19-18(26)20-16-6-5-15(21-22-16)12-3-4-12/h5-6,11-14H,1-4,7-10H2,(H,24,25)(H2,19,20,22,26)
InChIKeyCCLJXEMWTKFEQQ-UHFFFAOYSA-N
XLogP1.80
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(6-cyclopropyl-2-pyridinyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122094279
2-[cyclopropylmethyl-[3-[(3,4-dimethoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
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2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073452
2-[cyclopropylmethyl-[3-[(2-methoxycarbonylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
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2-[cyclopropylmethyl-[3-[(2,4,6-trimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073514
2-[cyclopropylmethyl-[3-[(2,4,5-trifluorophenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122079542
2-[cyclopropylmethyl-[3-[[4-(methylcarbamoyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074740
2-[[3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122086331
2-[[3-[(4-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073782
2-[[3-(1,3-benzodioxol-5-ylcarbamoylamino)cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 122073385
2-[cyclopropylmethyl-[3-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091535
2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092810

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid (CID 122086987) is 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)Nc2ccc(C3CC3)nn2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
The InChIKey is CCLJXEMWTKFEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-17(25)10-23(9-11-1-2-11)14-7-13(8-14)19-18(26)20-16-6-5-15(21-22-16)12-3-4-12/h5-6,11-14H,1-4,7-10H2,(H,24,25)(H2,19,20,22,26).
What are the key properties of 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid has a molecular weight of 359.43 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[(6-cyclopropylpyridazin-3-yl)carbamoylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122086987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).