(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid

C21H20N2O3 — CID 14671446

IUPAC(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
SMILESC[C@@H](NC(=O)N[C@@H](C(=O)O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O3/c1-14(17-13-7-11-15-8-5-6-12-18(15)17)22-21(26)23-19(20(24)25)16-9-3-2-4-10-16/h2-14,19H,1H3,(H,24,25)(H2,22,23,26)/t14-,19-/m1/s1
InChIKeyCZGWMZBTJWCFMK-AUUYWEPGSA-N
MW348.40 g/mol
LogP4.03
Rot. Bonds5

About (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid

(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid (PubChem CID 14671446) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
PubChem CID14671446
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
SMILESC[C@@H](NC(=O)N[C@@H](C(=O)O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O3/c1-14(17-13-7-11-15-8-5-6-12-18(15)17)22-21(26)23-19(20(24)25)16-9-3-2-4-10-16/h2-14,19H,1H3,(H,24,25)(H2,22,23,26)/t14-,19-/m1/s1
InChIKeyCZGWMZBTJWCFMK-AUUYWEPGSA-N
XLogP4.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
CID 69229055
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid
CID 69228655
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
(E)-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-enamide
CID 15828773
(2S)-2-(pentan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 113363099
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-(5-methylhexan-2-ylcarbamoylamino)-2-phenylacetic acid
CID 63927354
3-[[(1R)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562047
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
3-[[(1S)-1-naphthalen-1-ylethyl]amino]but-2-enoic acid
CID 70562068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid (CID 14671446) is (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid is C[C@@H](NC(=O)N[C@@H](C(=O)O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid?
The InChIKey is CZGWMZBTJWCFMK-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(17-13-7-11-15-8-5-6-12-18(15)17)22-21(26)23-19(20(24)25)16-9-3-2-4-10-16/h2-14,19H,1H3,(H,24,25)(H2,22,23,26)/t14-,19-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid?
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid has a molecular weight of 348.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 14671446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).