tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate

C15H21N3O3 — CID 177310309

IUPACtert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)Cc1c[nH]c2ccncc12
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-11(9-19)6-10-7-17-13-4-5-16-8-12(10)13/h4-5,7-8,11,17,19H,6,9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyGAJBGXMZZWDPGN-NSHDSACASA-N
MW291.35 g/mol
LogP1.99
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate (PubChem CID 177310309) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate
PubChem CID177310309
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)Cc1c[nH]c2ccncc12
InChIInChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-11(9-19)6-10-7-17-13-4-5-16-8-12(10)13/h4-5,7-8,11,17,19H,6,9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyGAJBGXMZZWDPGN-NSHDSACASA-N
XLogP1.99
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate (CID 177310309) is tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)Cc1c[nH]c2ccncc12.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate?
The InChIKey is GAJBGXMZZWDPGN-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-11(9-19)6-10-7-17-13-4-5-16-8-12(10)13/h4-5,7-8,11,17,19H,6,9H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 177310309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).