4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide

C10H17N3O2 — CID 93254381

IUPAC4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N[C@@H](C)CO
InChIInChI=1S/C10H17N3O2/c1-3-13-5-8(11)4-9(13)10(15)12-7(2)6-14/h4-5,7,14H,3,6,11H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyYOBNXMBLYOBFQE-ZETCQYMHSA-N
MW211.26 g/mol
LogP0.20
Rot. Bonds4

About 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide (PubChem CID 93254381) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
PubChem CID93254381
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N[C@@H](C)CO
InChIInChI=1S/C10H17N3O2/c1-3-13-5-8(11)4-9(13)10(15)12-7(2)6-14/h4-5,7,14H,3,6,11H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyYOBNXMBLYOBFQE-ZETCQYMHSA-N
XLogP0.20
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-cyclopropylethyl)-1-ethylpyrrole-2-carboxamide
CID 43643685
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 66197374
4-amino-N-(1-cyclopropylbutan-2-yl)-1-ethylpyrrole-2-carboxamide
CID 63995018
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107150585
4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
CID 113483947
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641881
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-1-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 61479453
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide (CID 93254381) is 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N[C@@H](C)CO.
What is the InChIKey of 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide?
The InChIKey is YOBNXMBLYOBFQE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13-5-8(11)4-9(13)10(15)12-7(2)6-14/h4-5,7,14H,3,6,11H2,1-2H3,(H,12,15)/t7-/m0/s1.
What are the key properties of 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 93254381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).