N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide

C10H16BrN3O — CID 120508288

IUPACN-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C10H16BrN3O/c1-3-14-6-8(11)4-9(14)10(15)13-7(2)5-12/h4,6-7H,3,5,12H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyDNFZOBZQZBFHKZ-ZETCQYMHSA-N
MW274.16 g/mol
LogP1.35
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide

N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide (PubChem CID 120508288) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
PubChem CID120508288
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N[C@@H](C)CN
InChIInChI=1S/C10H16BrN3O/c1-3-14-6-8(11)4-9(14)10(15)13-7(2)5-12/h4,6-7H,3,5,12H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeyDNFZOBZQZBFHKZ-ZETCQYMHSA-N
XLogP1.35
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-hexan-2-ylpyrrole-2-carboxamide
CID 62199870
4-bromo-1-ethyl-N-(4,4,4-trifluorobutan-2-yl)pyrrole-2-carboxamide
CID 104854910
4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
N-(1-aminopentan-2-yl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 65191144
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-propan-2-ylpyrrole-2-carboxamide;hydrochloride
CID 120508068
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43639540
4-bromo-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 61247043
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529149
tert-butyl (2R)-2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]propanoate
CID 81003396
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
4-bromo-1-ethyl-N-[(2R)-2-(ethylamino)propyl]pyrrole-2-carboxamide
CID 120654243

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide (CID 120508288) is N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide?
The InChIKey is DNFZOBZQZBFHKZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-14-6-8(11)4-9(14)10(15)13-7(2)5-12/h4,6-7H,3,5,12H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 120508288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).