(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid

C16H17NO5 — CID 119365618

IUPAC(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc2c1OCC(C(=O)N1CCC[C@H]1C(=O)O)=C2
InChIInChI=1S/C16H17NO5/c1-21-13-6-2-4-10-8-11(9-22-14(10)13)15(18)17-7-3-5-12(17)16(19)20/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyRSIBEMKCNNLPIA-LBPRGKRZSA-N
MW303.31 g/mol
LogP1.55
Rot. Bonds3

About (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 119365618) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID119365618
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc2c1OCC(C(=O)N1CCC[C@H]1C(=O)O)=C2
InChIInChI=1S/C16H17NO5/c1-21-13-6-2-4-10-8-11(9-22-14(10)13)15(18)17-7-3-5-12(17)16(19)20/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyRSIBEMKCNNLPIA-LBPRGKRZSA-N
XLogP1.55
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119434852
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95308857
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
1-(2,3-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 24699096
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone
CID 120658310
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 120658309
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43241864
1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235627
1-(2-fluoro-6-methoxybenzoyl)piperidine-2-carboxylic acid
CID 65432630

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 119365618) is (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid is COc1cccc2c1OCC(C(=O)N1CCC[C@H]1C(=O)O)=C2.
What is the InChIKey of (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RSIBEMKCNNLPIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-13-6-2-4-10-8-11(9-22-14(10)13)15(18)17-7-3-5-12(17)16(19)20/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).