3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid

C17H22N2O4 — CID 174209743

IUPAC3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
SMILESC[C@H](Cc1c[nH]c2cc(C(=O)O)ccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O4/c1-10(19-16(22)23-17(2,3)4)7-12-9-18-14-8-11(15(20)21)5-6-13(12)14/h5-6,8-10,18H,7H2,1-4H3,(H,19,22)(H,20,21)/t10-/m1/s1
InChIKeyUVSLCSLAAAKVSA-SNVBAGLBSA-N
MW318.37 g/mol
LogP3.32
Rot. Bonds4

About 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid

3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid (PubChem CID 174209743) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
PubChem CID174209743
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
SMILESC[C@H](Cc1c[nH]c2cc(C(=O)O)ccc12)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22N2O4/c1-10(19-16(22)23-17(2,3)4)7-12-9-18-14-8-11(15(20)21)5-6-13(12)14/h5-6,8-10,18H,7H2,1-4H3,(H,19,22)(H,20,21)/t10-/m1/s1
InChIKeyUVSLCSLAAAKVSA-SNVBAGLBSA-N
XLogP3.32
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 166473311
tert-butyl N-[(2R)-1-[6-(1H-pyrazol-4-yl)-1H-indol-3-yl]propan-2-yl]carbamate
CID 166473228
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
tert-butyl N-[1-(5,6,7,8-tetrahydro-1H-benzo[f]indol-3-yl)propan-2-yl]carbamate
CID 83984638
tert-butyl N-[1-(1,5,6,7-tetrahydrocyclopenta[f]indol-3-yl)propan-2-yl]carbamate
CID 83984526
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
CID 145005816
tert-butyl N-[1-(1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 153378625
4-(1H-indol-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 3933942
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
3-[(propan-2-ylamino)methyl]-1H-indole-6-carboxylic acid
CID 117178714

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid?
The IUPAC name of 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid (CID 174209743) is 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid is C[C@H](Cc1c[nH]c2cc(C(=O)O)ccc12)NC(=O)OC(C)(C)C.
What is the InChIKey of 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid?
The InChIKey is UVSLCSLAAAKVSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-10(19-16(22)23-17(2,3)4)7-12-9-18-14-8-11(15(20)21)5-6-13(12)14/h5-6,8-10,18H,7H2,1-4H3,(H,19,22)(H,20,21)/t10-/m1/s1.
What are the key properties of 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid?
3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid is sourced from PubChem (CID 174209743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).