4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide

C11H16N4O2 — CID 43643776

IUPAC4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESNC(=O)CCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C11H16N4O2/c12-7-5-9(15(6-7)8-1-2-8)11(17)14-4-3-10(13)16/h5-6,8H,1-4,12H2,(H2,13,16)(H,14,17)
InChIKeyBDDBGNPYZHEGKT-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.01
Rot. Bonds5

About 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide

4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 43643776) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID43643776
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESNC(=O)CCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C11H16N4O2/c12-7-5-9(15(6-7)8-1-2-8)11(17)14-4-3-10(13)16/h5-6,8H,1-4,12H2,(H2,13,16)(H,14,17)
InChIKeyBDDBGNPYZHEGKT-UHFFFAOYSA-N
XLogP0.01
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
CID 43644088
4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
CID 114158303
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-1-cyclopropyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106391502
4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 83142197
4-amino-1-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrole-2-carboxamide
CID 43642445
4-amino-1-cyclopropyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 106139336

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide (CID 43643776) is 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide is NC(=O)CCNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is BDDBGNPYZHEGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-7-5-9(15(6-7)8-1-2-8)11(17)14-4-3-10(13)16/h5-6,8H,1-4,12H2,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide?
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 43643776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).