(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(methylamino)ethyl]phenyl]morpholine-4-carboxamide
CID 61341444
2-[furan-2-ylmethyl(methyl)amino]-2-thiophen-3-ylacetic acid
CID 138003631
2-[methyl-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]-N-(4-methylphenyl)acetamide
CID 8785626
2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
CID 72863317
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
(2S)-2-(2,6-dimethoxyphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetic acid
CID 97202360
N-methyl-4-[[methyl-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9125046
2-[furan-2-ylmethyl(methyl)amino]butanoic acid
CID 43809005
N-(4-butan-2-ylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143459
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
tert-butyl N-[4-[[4-(furan-2-ylmethyl)piperazine-1-carbonyl]amino]phenyl]carbamate
CID 86892866
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668

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).