naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C18H21NO4 — CID 91282149

IUPACnaphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C18H21NO4/c1-12(19-17(21)23-18(2,3)4)16(20)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12H,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyAMZGOGZUESVOIA-GFCCVEGCSA-N
MW315.37 g/mol
LogP3.66
Rot. Bonds3

About naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 91282149) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namenaphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID91282149
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namenaphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C18H21NO4/c1-12(19-17(21)23-18(2,3)4)16(20)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12H,1-4H3,(H,19,21)/t12-/m1/s1
InChIKeyAMZGOGZUESVOIA-GFCCVEGCSA-N
XLogP3.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate 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

[2,6-di(propan-2-yl)phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130300874
tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
1-benzothiophen-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91015241
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
[6-(methoxycarbonyldisulfanyl)dibenzofuran-4-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 23254073
[(1S)-1-anthracen-9-yl-2-ethoxy-2-oxoethyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 101045686
tert-butyl N-[(2S)-1-[[1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 11592592
diethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-1-ylmethyl]propanedioate
CID 11611380
tert-butyl N-(3-naphthalen-1-yloxy-1-phenylpropyl)carbamate
CID 121230742
(2,4,5-trichlorophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 13055275
thiophen-2-yl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 56997717
(5-amino-2-methoxyphenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 146315153

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 91282149) is naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is AMZGOGZUESVOIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12(19-17(21)23-18(2,3)4)16(20)22-15-11-7-9-13-8-5-6-10-14(13)15/h5-12H,1-4H3,(H,19,21)/t12-/m1/s1.
What are the key properties of naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 315.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 91282149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).