2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid

C15H20N2O3 — CID 54473061

IUPAC2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
SMILESC[C@H](N)C(=O)N(CC(=O)O)C1CCc2ccccc2C1
InChIInChI=1S/C15H20N2O3/c1-10(16)15(20)17(9-14(18)19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9,16H2,1H3,(H,18,19)/t10-,13?/m0/s1
InChIKeyXJQNVGJBQDTVJI-NKUHCKNESA-N
MW276.34 g/mol
LogP0.80
Rot. Bonds4

About 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid

2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid (PubChem CID 54473061) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
PubChem CID54473061
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
SMILESC[C@H](N)C(=O)N(CC(=O)O)C1CCc2ccccc2C1
InChIInChI=1S/C15H20N2O3/c1-10(16)15(20)17(9-14(18)19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9,16H2,1H3,(H,18,19)/t10-,13?/m0/s1
InChIKeyXJQNVGJBQDTVJI-NKUHCKNESA-N
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid with MolForge

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Related Compounds

(2S)-2-amino-N-propyl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 124591510
2-[[(2S)-2-aminopropanoyl]-cyclohexylamino]acetic acid
CID 13089672
2-[[(2R)-2-aminopropanoyl]-cyclopentylamino]acetic acid
CID 78973399
3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 119787279
methyl (2S)-1-[2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-2-yl)amino]acetyl]pyrrolidine-2-carboxylate
CID 18602839
2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 119325725
2-[(2-benzamido-3-methylbutanoyl)-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 54183225
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-[2-aminopropanoyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61161627
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
1,1,3-trimethyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 127321753

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid (CID 54473061) is 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid is C[C@H](N)C(=O)N(CC(=O)O)C1CCc2ccccc2C1.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
The InChIKey is XJQNVGJBQDTVJI-NKUHCKNESA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(16)15(20)17(9-14(18)19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9,16H2,1H3,(H,18,19)/t10-,13?/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid?
2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid is sourced from PubChem (CID 54473061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).