2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid

C18H28N4O2 — CID 122041968

IUPAC2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(N3CCCC3)nc2)C1
InChIInChI=1S/C18H28N4O2/c1-2-21(13-18(23)24)16-9-15(10-16)19-11-14-5-6-17(20-12-14)22-7-3-4-8-22/h5-6,12,15-16,19H,2-4,7-11,13H2,1H3,(H,23,24)
InChIKeyQYMOSXYYZKMJCJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.71
Rot. Bonds8

About 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122041968) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid
PubChem CID122041968
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NCc2ccc(N3CCCC3)nc2)C1
InChIInChI=1S/C18H28N4O2/c1-2-21(13-18(23)24)16-9-15(10-16)19-11-14-5-6-17(20-12-14)22-7-3-4-8-22/h5-6,12,15-16,19H,2-4,7-11,13H2,1H3,(H,23,24)
InChIKeyQYMOSXYYZKMJCJ-UHFFFAOYSA-N
XLogP1.71
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[3-[[6-[ethyl(methyl)amino]-3-pyridinyl]methylamino]cyclobutyl]amino]acetic acid
CID 122042424
2-[ethyl-[3-[(4-methoxy-3-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042229
2-[ethyl-[3-(imidazo[1,2-a]pyridin-5-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122042751
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
2-[ethyl-[3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122027069
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
CID 97224310
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
2-ethyl-2-[[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]methyl]butanoic acid
CID 122128887
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
2,2-dimethyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]butanamide
CID 71842567
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2,2-dimethylpropanamide
CID 71842545
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid (CID 122041968) is 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NCc2ccc(N3CCCC3)nc2)C1.
What is the InChIKey of 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is QYMOSXYYZKMJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-21(13-18(23)24)16-9-15(10-16)19-11-14-5-6-17(20-12-14)22-7-3-4-8-22/h5-6,12,15-16,19H,2-4,7-11,13H2,1H3,(H,23,24).
What are the key properties of 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 332.45 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).