2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid

C18H29N3O2 — CID 154966168

IUPAC2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid
SMILESCC(C)N(CCc1cncc(N2CC(CC(=O)O)C2)c1)C(C)C
InChIInChI=1S/C18H29N3O2/c1-13(2)21(14(3)4)6-5-15-7-17(10-19-9-15)20-11-16(12-20)8-18(22)23/h7,9-10,13-14,16H,5-6,8,11-12H2,1-4H3,(H,22,23)
InChIKeyNGRWEDGQISGXGE-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.65
Rot. Bonds8

About 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid

2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid (PubChem CID 154966168) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid
PubChem CID154966168
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid
SMILESCC(C)N(CCc1cncc(N2CC(CC(=O)O)C2)c1)C(C)C
InChIInChI=1S/C18H29N3O2/c1-13(2)21(14(3)4)6-5-15-7-17(10-19-9-15)20-11-16(12-20)8-18(22)23/h7,9-10,13-14,16H,5-6,8,11-12H2,1-4H3,(H,22,23)
InChIKeyNGRWEDGQISGXGE-UHFFFAOYSA-N
XLogP2.65
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid
CID 171808816
2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid
CID 140830590
2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 140529582
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069288
2-[1-[(5-bromo-3-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 64617835
2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 116976846
2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid
CID 114081581
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
2-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 64618242
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 66319441

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid (CID 154966168) is 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid is CC(C)N(CCc1cncc(N2CC(CC(=O)O)C2)c1)C(C)C.
What is the InChIKey of 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid?
The InChIKey is NGRWEDGQISGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)21(14(3)4)6-5-15-7-17(10-19-9-15)20-11-16(12-20)8-18(22)23/h7,9-10,13-14,16H,5-6,8,11-12H2,1-4H3,(H,22,23).
What are the key properties of 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid?
2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid has a molecular weight of 319.45 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[2-[di(propan-2-yl)amino]ethyl]-3-pyridinyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 154966168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).