[(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid

C19H24N2O5 — CID 138628654

IUPAC[(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCc1ccc(OC2CC(NC(=O)[C@@H](C)NC(=O)O)C2)c2c1OCC21CC1
InChIInChI=1S/C19H24N2O5/c1-10-3-4-14(15-16(10)25-9-19(15)5-6-19)26-13-7-12(8-13)21-17(22)11(2)20-18(23)24/h3-4,11-13,20H,5-9H2,1-2H3,(H,21,22)(H,23,24)/t11-,12?,13?/m1/s1
InChIKeyRORSEBASQLIOTO-PNESKVBLSA-N
MW360.41 g/mol
LogP2.10
Rot. Bonds5

About [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid

[(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid (PubChem CID 138628654) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid
PubChem CID138628654
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid
SMILESCc1ccc(OC2CC(NC(=O)[C@@H](C)NC(=O)O)C2)c2c1OCC21CC1
InChIInChI=1S/C19H24N2O5/c1-10-3-4-14(15-16(10)25-9-19(15)5-6-19)26-13-7-12(8-13)21-17(22)11(2)20-18(23)24/h3-4,11-13,20H,5-9H2,1-2H3,(H,21,22)(H,23,24)/t11-,12?,13?/m1/s1
InChIKeyRORSEBASQLIOTO-PNESKVBLSA-N
XLogP2.10
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid with MolForge

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Related Compounds

3-[[(2S)-2-(2,6-dimethylanilino)propanoyl]amino]cyclobutane-1-carboxylic acid
CID 126433711
[3-(3-fluoro-2-methylphenoxy)cyclobutyl]carbamic acid
CID 67813271
(2R)-N-cyclopentyl-2-(2,5-dimethylanilino)propanamide
CID 28827851
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95283923
[3-[4-[1-(4-hydroxyphenyl)ethyl]phenoxy]cyclobutyl]carbamic acid
CID 174238917
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
N-[3-[5-fluoro-2-(hydroxyamino)phenoxy]cyclobutyl]acetamide
CID 88900130
N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 155944309
N-cyclopentyl-2-[[3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylphenyl]carbamoylamino]propanamide
CID 47075790
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid (CID 138628654) is [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid is Cc1ccc(OC2CC(NC(=O)[C@@H](C)NC(=O)O)C2)c2c1OCC21CC1.
What is the InChIKey of [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid?
The InChIKey is RORSEBASQLIOTO-PNESKVBLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-10-3-4-14(15-16(10)25-9-19(15)5-6-19)26-13-7-12(8-13)21-17(22)11(2)20-18(23)24/h3-4,11-13,20H,5-9H2,1-2H3,(H,21,22)(H,23,24)/t11-,12?,13?/m1/s1.
What are the key properties of [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid?
[(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid has a molecular weight of 360.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[3-(7-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yl)oxycyclobutyl]amino]-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 138628654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).