N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride

C18H28ClN3O4 — CID 154898758

IUPACN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2c2ccc(C)o2)CCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-12-4-5-15(25-12)13-8-21(10-16(19)22)9-14(13)20-17(23)18(11-24-2)6-3-7-18;/h4-5,13-14H,3,6-11H2,1-2H3,(H2,19,22)(H,20,23);1H/t13-,14-;/m0./s1
InChIKeyGEXYNCXFSRGBAV-IODNYQNNSA-N
MW385.89 g/mol
LogP1.20
Rot. Bonds7

About N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride

N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride (PubChem CID 154898758) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride
PubChem CID154898758
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC NameN-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride
SMILESCOCC1(C(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2c2ccc(C)o2)CCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-12-4-5-15(25-12)13-8-21(10-16(19)22)9-14(13)20-17(23)18(11-24-2)6-3-7-18;/h4-5,13-14H,3,6-11H2,1-2H3,(H2,19,22)(H,20,23);1H/t13-,14-;/m0./s1
InChIKeyGEXYNCXFSRGBAV-IODNYQNNSA-N
XLogP1.20
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride (CID 154898758) is N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride is COCC1(C(=O)N[C@H]2CN(CC(N)=O)C[C@@H]2c2ccc(C)o2)CCC1.Cl.
What is the InChIKey of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is GEXYNCXFSRGBAV-IODNYQNNSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-12-4-5-15(25-12)13-8-21(10-16(19)22)9-14(13)20-17(23)18(11-24-2)6-3-7-18;/h4-5,13-14H,3,6-11H2,1-2H3,(H2,19,22)(H,20,23);1H/t13-,14-;/m0./s1.
What are the key properties of N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride?
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 154898758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).