(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide

C9H14N4O — CID 79026971

IUPAC(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1cncn1C1CC1
InChIInChI=1S/C9H14N4O/c10-7(3-9(11)14)8-4-12-5-13(8)6-1-2-6/h4-7H,1-3,10H2,(H2,11,14)/t7-/m1/s1
InChIKeyNVKPDRFAHIBJLX-SSDOTTSWSA-N
MW194.24 g/mol
LogP0.09
Rot. Bonds4

About (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide

(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide (PubChem CID 79026971) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
PubChem CID79026971
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1cncn1C1CC1
InChIInChI=1S/C9H14N4O/c10-7(3-9(11)14)8-4-12-5-13(8)6-1-2-6/h4-7H,1-3,10H2,(H2,11,14)/t7-/m1/s1
InChIKeyNVKPDRFAHIBJLX-SSDOTTSWSA-N
XLogP0.09
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide?
The IUPAC name of (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide (CID 79026971) is (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide is NC(=O)C[C@@H](N)c1cncn1C1CC1.
What is the InChIKey of (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide?
The InChIKey is NVKPDRFAHIBJLX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N4O/c10-7(3-9(11)14)8-4-12-5-13(8)6-1-2-6/h4-7H,1-3,10H2,(H2,11,14)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide?
(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide has a molecular weight of 194.24 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide is sourced from PubChem (CID 79026971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).