(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid

C14H20N2O3 — CID 81120632

IUPAC(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCCn1cccc1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-2-7-15-8-4-6-12(15)13(17)16-9-3-5-11(10-16)14(18)19/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyUMEZJBMPOSVYSK-NSHDSACASA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds4

About (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81120632) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID81120632
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
SMILESCCCn1cccc1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H20N2O3/c1-2-7-15-8-4-6-12(15)13(17)16-9-3-5-11(10-16)14(18)19/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyUMEZJBMPOSVYSK-NSHDSACASA-N
XLogP1.83
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
(3-hydroxypiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 43639083
[3-(methylamino)piperidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 62536550
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
piperazin-1-yl-(1-propylpyrrol-2-yl)methanone
CID 43639000
1-(4-chloro-1-propylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032165
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid (CID 81120632) is (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid is CCCn1cccc1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is UMEZJBMPOSVYSK-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-7-15-8-4-6-12(15)13(17)16-9-3-5-11(10-16)14(18)19/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-propylpyrrole-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).