benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid

C19H18N2O4 — CID 175156671

IUPACbenzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
SMILESC[C@H](CN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-13(20(19(24)25)12-14-7-3-2-4-8-14)11-21-17(22)15-9-5-6-10-16(15)18(21)23/h2-10,13H,11-12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeySMOBLGFPPLPBPC-CYBMUJFWSA-N
MW338.36 g/mol
LogP2.85
Rot. Bonds5

About benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid

benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid (PubChem CID 175156671) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
PubChem CID175156671
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namebenzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
SMILESC[C@H](CN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H18N2O4/c1-13(20(19(24)25)12-14-7-3-2-4-8-14)11-21-17(22)15-9-5-6-10-16(15)18(21)23/h2-10,13H,11-12H2,1H3,(H,24,25)/t13-/m1/s1
InChIKeySMOBLGFPPLPBPC-CYBMUJFWSA-N
XLogP2.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-butan-2-yl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 43025130
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate
CID 130871466
3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylpentanoic acid
CID 71583338
ethyl (2S,3R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-3-hydroxybutanoate
CID 11779023
2-[2-(dibenzylamino)-4-hydroxybutyl]isoindole-1,3-dione
CID 85102916
2-[(2S)-3-[benzyl-[(1R)-1-cyclopropylethyl]amino]-2-hydroxypropyl]isoindole-1,3-dione
CID 51932616
S-ethyl N-benzyl-N-(1,3-dioxoisoindol-2-yl)carbamothioate
CID 155280964
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
N-benzyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56502325

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The IUPAC name of benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid (CID 175156671) is benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The canonical SMILES for benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid is C[C@H](CN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
The InChIKey is SMOBLGFPPLPBPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13(20(19(24)25)12-14-7-3-2-4-8-14)11-21-17(22)15-9-5-6-10-16(15)18(21)23/h2-10,13H,11-12H2,1H3,(H,24,25)/t13-/m1/s1.
What are the key properties of benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid?
benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid has a molecular weight of 338.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 175156671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).