2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid

C19H23N5O3 — CID 66676514

IUPAC2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCn1c2ccccc2c2cc(C(N)=O)c(N)nc21)C(=O)O
InChIInChI=1S/C19H23N5O3/c1-19(2,3)24(18(26)27)9-8-23-14-7-5-4-6-11(14)12-10-13(16(21)25)15(20)22-17(12)23/h4-7,10H,8-9H2,1-3H3,(H2,20,22)(H2,21,25)(H,26,27)
InChIKeyWPUKMYUAROBWPW-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.65
Rot. Bonds4

About 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid

2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid (PubChem CID 66676514) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid
PubChem CID66676514
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCn1c2ccccc2c2cc(C(N)=O)c(N)nc21)C(=O)O
InChIInChI=1S/C19H23N5O3/c1-19(2,3)24(18(26)27)9-8-23-14-7-5-4-6-11(14)12-10-13(16(21)25)15(20)22-17(12)23/h4-7,10H,8-9H2,1-3H3,(H2,20,22)(H2,21,25)(H,26,27)
InChIKeyWPUKMYUAROBWPW-UHFFFAOYSA-N
XLogP2.65
TPSA127.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid (CID 66676514) is 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCn1c2ccccc2c2cc(C(N)=O)c(N)nc21)C(=O)O.
What is the InChIKey of 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid?
The InChIKey is WPUKMYUAROBWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2,3)24(18(26)27)9-8-23-14-7-5-4-6-11(14)12-10-13(16(21)25)15(20)22-17(12)23/h4-7,10H,8-9H2,1-3H3,(H2,20,22)(H2,21,25)(H,26,27).
What are the key properties of 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid?
2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid has a molecular weight of 369.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 66676514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).