(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid

C20H21NO3 — CID 14557388

IUPAC(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCc2ccccc2C1
InChIInChI=1S/C20H21NO3/c22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,21,22)(H,23,24)/t17?,18-/m1/s1
InChIKeyDVXGNZUCODAAGA-QRWMCTBCSA-N
MW323.39 g/mol
LogP2.60
Rot. Bonds5

About (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid

(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid (PubChem CID 14557388) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
PubChem CID14557388
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCc2ccccc2C1
InChIInChI=1S/C20H21NO3/c22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,21,22)(H,23,24)/t17?,18-/m1/s1
InChIKeyDVXGNZUCODAAGA-QRWMCTBCSA-N
XLogP2.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-3-phenyl-2-[[(2S)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]propanoate
CID 143932319
(2R)-4-methylsulfanyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126374
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
2-(2,3-dihydro-1H-indene-2-carbonylamino)butanedioic acid
CID 106892454
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
(2R)-2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 97215052
(2R)-2-[[(3R)-1,1-dioxothiolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 93306016
4-methyl-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 107126365
(2S)-3,3-dimethyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 107126261
(2R)-2-[(1-benzylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367273

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid (CID 14557388) is (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCc2ccccc2C1.
What is the InChIKey of (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid?
The InChIKey is DVXGNZUCODAAGA-QRWMCTBCSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(17-11-10-15-8-4-5-9-16(15)13-17)21-18(20(23)24)12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,21,22)(H,23,24)/t17?,18-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid?
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 14557388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).