[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

C18H19NO5 — CID 2630507

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESC[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)NC1CCCC1
InChIInChI=1S/C18H19NO5/c1-11(17(21)19-12-6-2-3-7-12)23-18(22)16-10-14(20)13-8-4-5-9-15(13)24-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyLHWBOMDMDWFBGC-NSHDSACASA-N
MW329.35 g/mol
LogP2.40
Rot. Bonds4

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (PubChem CID 2630507) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
PubChem CID2630507
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
SMILESC[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)NC1CCCC1
InChIInChI=1S/C18H19NO5/c1-11(17(21)19-12-6-2-3-7-12)23-18(22)16-10-14(20)13-8-4-5-9-15(13)24-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyLHWBOMDMDWFBGC-NSHDSACASA-N
XLogP2.40
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 42969499
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
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[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 4-oxochromene-2-carboxylate
CID 7968490
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 46788308
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504524
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 7968524
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 42972427
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877221
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
CID 9384383
[(2S)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate (CID 2630507) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
The InChIKey is LHWBOMDMDWFBGC-NSHDSACASA-N. The full InChI is InChI=1S/C18H19NO5/c1-11(17(21)19-12-6-2-3-7-12)23-18(22)16-10-14(20)13-8-4-5-9-15(13)24-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2630507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).