[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

C18H17NO5 — CID 1444635

IUPAC[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESC[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1
InChIInChI=1S/C18H17NO5/c1-12(17(20)19-10-15-6-4-8-22-15)24-18(21)14-9-13-5-2-3-7-16(13)23-11-14/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyMCIPCXBCJGJUNB-LBPRGKRZSA-N
MW327.34 g/mol
LogP2.30
Rot. Bonds5

About [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 1444635) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
PubChem CID1444635
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESC[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1
InChIInChI=1S/C18H17NO5/c1-12(17(20)19-10-15-6-4-8-22-15)24-18(21)14-9-13-5-2-3-7-16(13)23-11-14/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyMCIPCXBCJGJUNB-LBPRGKRZSA-N
XLogP2.30
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744847
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745271
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7861742
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8742525
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745772
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507677
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195612
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 7377262
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 29193764
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 7488800

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (CID 1444635) is [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NCc1ccco1.
What is the InChIKey of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is MCIPCXBCJGJUNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17NO5/c1-12(17(20)19-10-15-6-4-8-22-15)24-18(21)14-9-13-5-2-3-7-16(13)23-11-14/h2-9,12H,10-11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 1444635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).