2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid

C20H24N2O3 — CID 154795791

IUPAC2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
SMILESCc1cc(C(=O)NC(CC2CCCc3ccccc32)C(=O)O)c(C)[nH]1
InChIInChI=1S/C20H24N2O3/c1-12-10-17(13(2)21-12)19(23)22-18(20(24)25)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9-10,15,18,21H,5,7-8,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyZZZZCRIBKKPHEI-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds5

About 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid

2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid (PubChem CID 154795791) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
PubChem CID154795791
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
SMILESCc1cc(C(=O)NC(CC2CCCc3ccccc32)C(=O)O)c(C)[nH]1
InChIInChI=1S/C20H24N2O3/c1-12-10-17(13(2)21-12)19(23)22-18(20(24)25)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9-10,15,18,21H,5,7-8,11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyZZZZCRIBKKPHEI-UHFFFAOYSA-N
XLogP3.32
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
CID 129468232
(2R)-2-[[(2R,4R)-2-methyloxane-4-carbonyl]amino]-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid
CID 129469596
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
2-[[2-(1-methylindazol-3-yl)acetyl]amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
CID 122109293
5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 126767967
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-ol
CID 63902024
(2S)-2-amino-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 107773515
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116586776
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid (CID 154795791) is 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid is Cc1cc(C(=O)NC(CC2CCCc3ccccc32)C(=O)O)c(C)[nH]1.
What is the InChIKey of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
The InChIKey is ZZZZCRIBKKPHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12-10-17(13(2)21-12)19(23)22-18(20(24)25)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-4,6,9-10,15,18,21H,5,7-8,11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid?
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 154795791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).