4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid

C19H27N3O4 — CID 42930788

IUPAC4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCC(=O)NC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C19H27N3O4/c1-12(2)10-16(18(24)25)22-19(26)20-11-17(23)21-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15-16H,5,7,9-11H2,1-2H3,(H,21,23)(H,24,25)(H2,20,22,26)
InChIKeyYFUIMRJZDYYMSB-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.98
Rot. Bonds7

About 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid

4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid (PubChem CID 42930788) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid
PubChem CID42930788
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)NCC(=O)NC1CCCc2ccccc21)C(=O)O
InChIInChI=1S/C19H27N3O4/c1-12(2)10-16(18(24)25)22-19(26)20-11-17(23)21-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15-16H,5,7,9-11H2,1-2H3,(H,21,23)(H,24,25)(H2,20,22,26)
InChIKeyYFUIMRJZDYYMSB-UHFFFAOYSA-N
XLogP1.98
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid with MolForge

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Related Compounds

N-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-2,2-diphenylacetamide
CID 143477934
2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721
2-[[(1R)-1-phenylethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898719
(2S)-3-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 944231
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9132035
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9049425
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
(2S,3R)-3-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 104966185
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid (CID 42930788) is 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid is CC(C)CC(NC(=O)NCC(=O)NC1CCCc2ccccc21)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid?
The InChIKey is YFUIMRJZDYYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12(2)10-16(18(24)25)22-19(26)20-11-17(23)21-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15-16H,5,7,9-11H2,1-2H3,(H,21,23)(H,24,25)(H2,20,22,26).
What are the key properties of 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid?
4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid has a molecular weight of 361.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 42930788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).