tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate

C24H27N3O4 — CID 68881126

IUPACtert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)Cc1ccccc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H27N3O4/c1-24(2,3)31-23(30)27(21(28)13-16-9-5-4-6-10-16)22(29)19(25)14-17-15-26-20-12-8-7-11-18(17)20/h4-12,15,19,26H,13-14,25H2,1-3H3/t19-/m1/s1
InChIKeyVGEIKAPBGZSLLX-LJQANCHMSA-N
MW421.50 g/mol
LogP3.57
Rot. Bonds5

About tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate

tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate (PubChem CID 68881126) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate
PubChem CID68881126
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Nametert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)Cc1ccccc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H27N3O4/c1-24(2,3)31-23(30)27(21(28)13-16-9-5-4-6-10-16)22(29)19(25)14-17-15-26-20-12-8-7-11-18(17)20/h4-12,15,19,26H,13-14,25H2,1-3H3/t19-/m1/s1
InChIKeyVGEIKAPBGZSLLX-LJQANCHMSA-N
XLogP3.57
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoate
CID 11384252
(2S)-2-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 141473656
(2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175089869
(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]propanoic acid
CID 175093928
tert-butyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoate
CID 54512148
ethyl 2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-benzylamino]acetate
CID 54408165
tert-butyl 2,3-diamino-4-(1H-indol-3-yl)butanoate
CID 150349077
benzyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 174667754
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522
tert-butyl N-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 67873998
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate (CID 68881126) is tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate is CC(C)(C)OC(=O)N(C(=O)Cc1ccccc1)C(=O)[C@H](N)Cc1c[nH]c2ccccc12.
What is the InChIKey of tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate?
The InChIKey is VGEIKAPBGZSLLX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-24(2,3)31-23(30)27(21(28)13-16-9-5-4-6-10-16)22(29)19(25)14-17-15-26-20-12-8-7-11-18(17)20/h4-12,15,19,26H,13-14,25H2,1-3H3/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate?
tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate has a molecular weight of 421.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-(2-phenylacetyl)carbamate is sourced from PubChem (CID 68881126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).