2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid

C17H28N4O2 — CID 122042424

IUPAC2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(C)c1ccc(CNC2CC(N(CC)CC(=O)O)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-20(3)16-7-6-13(11-19-16)10-18-14-8-15(9-14)21(5-2)12-17(22)23/h6-7,11,14-15,18H,4-5,8-10,12H2,1-3H3,(H,22,23)
InChIKeyDUZUAXUCINNLBU-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.56
Rot. Bonds9

About 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122042424) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid
PubChem CID122042424
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(C)c1ccc(CNC2CC(N(CC)CC(=O)O)C2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-20(3)16-7-6-13(11-19-16)10-18-14-8-15(9-14)21(5-2)12-17(22)23/h6-7,11,14-15,18H,4-5,8-10,12H2,1-3H3,(H,22,23)
InChIKeyDUZUAXUCINNLBU-UHFFFAOYSA-N
XLogP1.56
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid
CID 122041968
2-[[3-[(4-chlorophenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042459
2-[[3-[(3,4-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042566
2-[ethyl-[3-[(4-methylsulfanylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042403
2-[[3-[[4-(cyclopropylmethoxy)phenyl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042425
2-[[3-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042559
2-[ethyl-[3-[(4-methoxy-3-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042229
2-[[3-[(5-bromo-1,3-thiazol-2-yl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042657
2-[ethyl-[3-(imidazo[1,2-a]pyridin-5-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122042751
2-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 80629554
2-[ethyl-[3-[(5-methoxycarbonylfuran-2-yl)methylamino]cyclobutyl]amino]acetic acid
CID 122042779
2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042243

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid (CID 122042424) is 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid is CCN(C)c1ccc(CNC2CC(N(CC)CC(=O)O)C2)cn1.
What is the InChIKey of 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is DUZUAXUCINNLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-20(3)16-7-6-13(11-19-16)10-18-14-8-15(9-14)21(5-2)12-17(22)23/h6-7,11,14-15,18H,4-5,8-10,12H2,1-3H3,(H,22,23).
What are the key properties of 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 320.44 g/mol, XLogP of 1.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122042424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).