tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate

C14H19N3O2 — CID 171338077

IUPACtert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)Cc1c[nH]c2ccncc12
InChIInChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)11(15)6-9-7-17-12-4-5-16-8-10(9)12/h4-5,7-8,11,17H,6,15H2,1-3H3/t11-/m0/s1
InChIKeyZTYMCUJHSFTCBE-NSHDSACASA-N
MW261.32 g/mol
LogP1.77
Rot. Bonds3

About tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate

tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate (PubChem CID 171338077) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate
PubChem CID171338077
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nametert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)Cc1c[nH]c2ccncc12
InChIInChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)11(15)6-9-7-17-12-4-5-16-8-10(9)12/h4-5,7-8,11,17H,6,15H2,1-3H3/t11-/m0/s1
InChIKeyZTYMCUJHSFTCBE-NSHDSACASA-N
XLogP1.77
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-1-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propan-2-yl]carbamate
CID 177310309
tert-butyl 2,3-diamino-4-(1H-indol-3-yl)butanoate
CID 150349077
tert-butyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoate
CID 54512148
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
tert-butyl 2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoate
CID 167715233
tert-butyl (5S)-3,5-diamino-6-(1H-indol-3-yl)-3-methyl-2-(methylamino)-4-oxohexanoate
CID 67665355
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
(4S)-4-(methylamino)-5-(1H-pyrrolo[3,2-c]pyridin-3-yl)pent-1-en-3-one
CID 178131520
tert-butyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoate
CID 11384252
tert-butyl N-[(2R)-1-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-3-yl)propan-2-yl]carbamate
CID 151101913
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85288956
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate?
The IUPAC name of tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate (CID 171338077) is tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate is CC(C)(C)OC(=O)[C@@H](N)Cc1c[nH]c2ccncc12.
What is the InChIKey of tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate?
The InChIKey is ZTYMCUJHSFTCBE-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)11(15)6-9-7-17-12-4-5-16-8-10(9)12/h4-5,7-8,11,17H,6,15H2,1-3H3/t11-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate?
tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate has a molecular weight of 261.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-3-(1H-pyrrolo[3,2-c]pyridin-3-yl)propanoate is sourced from PubChem (CID 171338077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).