(2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid

C19H23N3O5 — CID 97206185

IUPAC(2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
SMILESCN(Cc1ccco1)[C@@H](C(=O)O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O5/c1-21(13-16-3-2-10-27-16)17(18(23)24)14-4-6-15(7-5-14)20-19(25)22-8-11-26-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3,(H,20,25)(H,23,24)/t17-/m1/s1
InChIKeyBOHSCCPVYYXNKH-QGZVFWFLSA-N
MW373.41 g/mol
LogP2.40
Rot. Bonds6

About (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid

(2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid (PubChem CID 97206185) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name(2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
PubChem CID97206185
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
SMILESCN(Cc1ccco1)[C@@H](C(=O)O)c1ccc(NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H23N3O5/c1-21(13-16-3-2-10-27-16)17(18(23)24)14-4-6-15(7-5-14)20-19(25)22-8-11-26-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3,(H,20,25)(H,23,24)/t17-/m1/s1
InChIKeyBOHSCCPVYYXNKH-QGZVFWFLSA-N
XLogP2.40
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
The IUPAC name of (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid (CID 97206185) is (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
The canonical SMILES for (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid is CN(Cc1ccco1)[C@@H](C(=O)O)c1ccc(NC(=O)N2CCOCC2)cc1.
What is the InChIKey of (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
The InChIKey is BOHSCCPVYYXNKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-21(13-16-3-2-10-27-16)17(18(23)24)14-4-6-15(7-5-14)20-19(25)22-8-11-26-12-9-22/h2-7,10,17H,8-9,11-13H2,1H3,(H,20,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
(2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[furan-2-ylmethyl(methyl)amino]-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 97206185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).